Geometry & MOs

Info

ID:	172588
PubChem CID:	75527428
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-12.68
Dipole, Da:	3.9
IP(EA), eV:	-8.27(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN2CCN(CC2)C3CCCCC3

DOS

IR

Vibrations