Geometry & MOs

Info

ID:	301991
PubChem CID:	123107934
Reduced:	NSO2C8H9 (2)
Stoich.:	ABC2D8E9 (2)
Weight, g/mol:	416.104208
ΔH_f, kcal/mol:	-119.4
Dipole, Da:	2.96
IP(EA), eV:	-8.8(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-6-[2-[(4-nitrophenyl)methylsulfinyl]propanoyl]-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CS(=O)CC(=O)NC2=NC(=C(S2)C(=O)OC)C

DOS

IR

Vibrations