Geometry & MOs

Info

ID:	412693
PubChem CID:	135085607
Reduced:	NO2F3H8C11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	375.31373
ΔH_f, kcal/mol:	-172.47
Dipole, Da:	0.92
IP(EA), eV:	-10.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

[C-]#[N+]CC(=O)OCC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations