Geometry & MOs

Info

ID:	180127
PubChem CID:	76582626
Reduced:	SO3N4H24C26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	357.184112
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	7.66
IP(EA), eV:	-7.99(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-3-[4-[(4-methylphenyl)methylamino]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C(=O)NCC(=CC=CN)N

DOS

IR

Vibrations