Geometry & MOs

Info

ID:	172591
PubChem CID:	75527582
Reduced:	NSO5C22H27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	377.093309
ΔH_f, kcal/mol:	-184.31
Dipole, Da:	7.2
IP(EA), eV:	-8.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(benzenesulfonyl)-3-(3,4-dimethoxyanilino)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N/C=C(/C(=O)OC)\S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations