Geometry & MOs

Info

ID:	67872
PubChem CID:	46507343
Reduced:	ClO2S2N3H20C26 (1)
Stoich.:	AB2C2D3E20F26 (1)
Weight, g/mol:	421.182398
ΔH_f, kcal/mol:	17.89
Dipole, Da:	5.09
IP(EA), eV:	-8.69(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-4-[5-(4-methoxyphenyl)thiophen-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN2C3=C(SC(=S)N3C4=CC=CC=C4C2=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations