Geometry & MOs

Info

ID:	196684
PubChem CID:	78864015
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	428.188212
ΔH_f, kcal/mol:	-79.4
Dipole, Da:	1.85
IP(EA), eV:	-9.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(4-ethylpiperazin-1-yl)propyl]-3-[5-(2-nitrophenyl)thiophen-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)NC3=CC(=NN3C)C

DOS

IR

Vibrations