Geometry & MOs

Info

ID:	65158
PubChem CID:	29204545
Reduced:	N2S2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	495.146407
ΔH_f, kcal/mol:	-105.25
Dipole, Da:	7.99
IP(EA), eV:	-8.08(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(SC(=C2)C)C)S(=O)(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations