Geometry & MOs

Info

ID:	152695
PubChem CID:	56311727
Reduced:	SO3N4C23H28 (1)
Stoich.:	AB3C4D23E28 (1)
Weight, g/mol:	404.130697
ΔH_f, kcal/mol:	-67.88
Dipole, Da:	3.32
IP(EA), eV:	-8.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[benzyl(cyanomethyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3)C(=O)NCC4CC4

DOS

IR

Vibrations