Geometry & MOs

Info

ID:	49401
PubChem CID:	11532974
Reduced:	N3O5C26H39 (1)
Stoich.:	A3B5C26D39 (1)
Weight, g/mol:	473.223594
ΔH_f, kcal/mol:	-217.41
Dipole, Da:	3.2
IP(EA), eV:	-9.06(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10S,13S,17S)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CCCOCCCNC(=O)CC1=CC(=CC=C1)CC(C)(C)NCC(C2=NC(=C(C=C2)O)CO)O

DOS

IR

Vibrations