Geometry & MOs

Info

ID:	196387
PubChem CID:	78818650
Reduced:	SO2N5C20H29 (1)
Stoich.:	AB2C5D20E29 (1)
Weight, g/mol:	335.141596
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	2.17
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(3-cyanothiophen-2-yl)amino]-3-oxopropyl]-N-ethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)N1CCN(CC1)C(C)C2=NC3=C(C4=C(S3)CC(CC4)C)C(=O)N2

DOS

IR

Vibrations