Geometry & MOs

Info

ID:	180679
PubChem CID:	76668674
Reduced:	NS2O4C22H37 (1)
Stoich.:	AB2C4D22E37 (1)
Weight, g/mol:	440.209137
ΔH_f, kcal/mol:	-212.07
Dipole, Da:	4.93
IP(EA), eV:	-8.34(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropyridin-2-yl)-2-methyl-N-[1-methyl-5-(2-methylpropyl)benzimidazol-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCSC1CCC1SCCCC(=O)C(CCC(=O)C)NC(=O)CCC(=O)C

DOS

IR

Vibrations