Geometry & MOs

Info

ID:	172590
PubChem CID:	75527581
Reduced:	NSO6C22H27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-212.36
Dipole, Da:	7.2
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-2-(4-tert-butylphenyl)sulfonyl-3-(4-ethoxyanilino)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)OC)/C(=O)OC

DOS

IR

Vibrations