Geometry & MOs

Info

ID:	44887
PubChem CID:	10506363
Reduced:	INSO4C22H28 (1)
Stoich.:	ABCD4E22F28 (1)
Weight, g/mol:	529.319209
ΔH_f, kcal/mol:	-129.04
Dipole, Da:	3.08
IP(EA), eV:	-8.48(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R,3R,4R,5R,6S,7R,14S,15R,16S,17S,18S,19S,20R,21R,22R)-22-(acetyloxymethyl)-10-amino-5,16-dimethyl-21-nonacyclo[18.2.2.13,18.17,14.02,19.04,17.05,16.06,15.08,13]hexacosa-8(13),9,11-trienyl]methyl acetate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N[C@H](COC(=O)C)[C@@H](COCC1=CC=CC=C1)[S+](C)C2=CC=CC=C2.[I-]

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(=O)N[C@H](COC(=O)C)[C@@H](COCC1=CC=CC=C1)[S+](C)C2=CC=CC=C2.[I-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):