Geometry & MOs

Info

ID:	402147
PubChem CID:	135054639
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	333.194008
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	8.56
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-4-acetyl-5-oxo-1-phenylhexan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H]([C@@H](C)CNC(=O)OCC1=CC=CC=C1)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations