Geometry & MOs

Info

ID:	62727
PubChem CID:	26736372
Reduced:	SN4O6C21H26 (1)
Stoich.:	AB4C6D21E26 (1)
Weight, g/mol:	345.03644
ΔH_f, kcal/mol:	-137.51
Dipole, Da:	7.11
IP(EA), eV:	-8.62(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-bromophenyl)-N-(2-ethoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

DOS

IR

Vibrations