Geometry & MOs

Info

ID:	185365
PubChem CID:	77289412
Reduced:	ON3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	376.297745
ΔH_f, kcal/mol:	-16.73
Dipole, Da:	5.96
IP(EA), eV:	-8.21(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxypentanoic acid

Drug info:

PubChemData

Smile

C1CC(NC1)C(=O)NC2=CC=C(C=C2)NC3=NC=C(C(=C3)NCC4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations