Geometry & MOs

Info

ID:	402008
PubChem CID:	135053846
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-14.15
Dipole, Da:	3.4
IP(EA), eV:	-8.77(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(S)-[(3R)-3-acetyl-2-oxooxolan-3-yl]-(4-methylphenyl)methyl]carbamate

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]([C@H](N(O1)C2=CC=CC=C2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations