Geometry & MOs

Info

ID:	196608
PubChem CID:	78852811
Reduced:	NOCl3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	390.115047
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	3.35
IP(EA), eV:	-9.43(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-cyanophenyl)ethyl]-5-(phenylcarbamoylamino)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)N(C2CC2)C(=O)C3CC3(Cl)Cl

DOS

IR

Vibrations