Geometry & MOs

Info

ID:	69810
PubChem CID:	47205430
Reduced:	S2O3N4C10H16 (1)
Stoich.:	A2B3C4D10E16 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-84.07
Dipole, Da:	8.47
IP(EA), eV:	-9.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanopropyl)-N-methyl-3-oxo-4H-1,4-benzoxazine-7-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN=C(S1)NC(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations