Geometry & MOs

Info

ID:	152523
PubChem CID:	56311475
Reduced:	SO2N6C24H24 (1)
Stoich.:	AB2C6D24E24 (1)
Weight, g/mol:	430.146347
ΔH_f, kcal/mol:	38.13
Dipole, Da:	2.59
IP(EA), eV:	-8.37(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[(3-cyanophenyl)methyl-prop-2-enylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C2=C(C=CC=N2)C#N)CC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CS4

DOS

IR

Vibrations