Geometry & MOs

Info

ID:	401314
PubChem CID:	135050888
Reduced:	NSO3C7H8 (2)
Stoich.:	ABC3D7E8 (2)
Weight, g/mol:	373.03136
ΔH_f, kcal/mol:	-195.22
Dipole, Da:	4.11
IP(EA), eV:	-8.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-benzamido-3-bromo-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC(=S)/C(=C(/C(=O)OC)\N)/C(=O)OC

DOS

IR

Vibrations