Geometry & MOs

Info

ID:	64265
PubChem CID:	29198766
Reduced:	SN2O5C16H24 (1)
Stoich.:	AB2C5D16E24 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-211.96
Dipole, Da:	9.18
IP(EA), eV:	-9.68(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C1=CC=CC=C1OC

DOS

IR

Vibrations