Geometry & MOs

Info

ID:	187320
PubChem CID:	77558238
Reduced:	SO2N5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	386.282095
ΔH_f, kcal/mol:	16.43
Dipole, Da:	6.68
IP(EA), eV:	-9.02(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(CNN1)C2=CN3C(=NC=C3C4=CC=C(C=C4)S(=O)(=O)N5CCCC5)C=C2

DOS

IR

Vibrations