Geometry & MOs

Info

ID:	416822
PubChem CID:	135090482
Reduced:	N2O2C21H32 (1)
Stoich.:	A2B2C21D32 (1)
Weight, g/mol:	695.389414
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	5.5
IP(EA), eV:	-8.57(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

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(C)COC1=CC=CC(=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

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(C)COC1=CC=CC(=C1)CN(C)[C@@H]2C[C@@H]3CC(=O)N(C[C@@H]3C2)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):