Geometry & MOs

Info

ID:	214332
PubChem CID:	84975174
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	395.124798
ΔH_f, kcal/mol:	-117.51
Dipole, Da:	1.95
IP(EA), eV:	-8.71(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CN2CCCC(C2)C(=O)N

DOS

IR

Vibrations