Geometry & MOs

Info

ID:	172589
PubChem CID:	75527580
Reduced:	NSO5C21H25 (1)
Stoich.:	ABC5D21E25 (1)
Weight, g/mol:	433.155909
ΔH_f, kcal/mol:	-177.61
Dipole, Da:	6.69
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(4-tert-butylphenyl)sulfonyl-3-(3,4-dimethoxyanilino)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)/C(=C\NC2=CC=C(C=C2)OC)/C(=O)OC

DOS

IR

Vibrations