Geometry & MOs

Info

ID:	135186
PubChem CID:	51830750
Reduced:	N2O5C19H30 (1)
Stoich.:	A2B5C19D30 (1)
Weight, g/mol:	523.283492
ΔH_f, kcal/mol:	-229.93
Dipole, Da:	4.85
IP(EA), eV:	-8.7(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[tert-butyl-[(1R)-2-(tert-butylamino)-2-oxo-1-phenanthren-9-ylethyl]amino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](C1=CC(=C(C=C1)O)OC)N(C(=O)CO)C(C)(C)C

DOS

IR

Vibrations