Geometry & MOs

Info

ID:	46101
PubChem CID:	10521585
Reduced:	SO3N5C15H17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	347.04973
ΔH_f, kcal/mol:	25.1
Dipole, Da:	9.18
IP(EA), eV:	-9.39(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[4-[bis(methylsulfonyl)amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CN1C(=O)C2C(NCCC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])N=C1SC

DOS

IR

Vibrations