Geometry & MOs

Info

ID:	399294
PubChem CID:	135039465
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	346.96883
ΔH_f, kcal/mol:	59.03
Dipole, Da:	2.05
IP(EA), eV:	-8.09(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[2-iodoethyl(methylsulfonyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=CN2)C(C)C3C=CC=C3

DOS

IR

Vibrations