Geometry & MOs

Info

ID:	160490
PubChem CID:	57309838
Reduced:	ClO5N6H9C14 (1)
Stoich.:	AB5C6D9E14 (1)
Weight, g/mol:	425.220223
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	1.52
IP(EA), eV:	-9.34(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S)-1-[(4R)-4-benzyl-5-oxooxolan-3-yl]-2-(4-methoxyphenyl)ethyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NN2C3=C(N=C(C=C3NC(=O)C2=O)Cl)[N+](=O)[O-]

DOS

IR

Vibrations