Geometry & MOs

Info

ID:	449755
PubChem CID:	135301207
Reduced:	NS2O4H11C12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	911.442906
ΔH_f, kcal/mol:	-100.11
Dipole, Da:	7.25
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12S,17R,20R,23S)-20-[(4-hydroxyphenyl)methyl]-30-methoxy-16,23-dimethyl-17-(2-methylpropyl)-2,3,10,13,18,21,24-heptaoxo-12-(2-phenylethyl)-28-oxa-4,11,14,16,19,22,25-heptazatricyclo[27.3.1.04,9]tritriaconta-1(33),29,31-triene-15-carbaldehyde

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

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)S(=O)O

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

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)S(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):