Geometry & MOs

Info

ID:	223940
PubChem CID:	85336159
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	375.240959
ΔH_f, kcal/mol:	15.64
Dipole, Da:	4.89
IP(EA), eV:	-8.13(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl) 2-amino-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC2=C(C=C1)NC(=C2)C3C=C4C=CC=CC4=NC3=O

DOS

IR

Vibrations