Geometry & MOs

Info

ID:	134362
PubChem CID:	51685803
Reduced:	SN5C20H32 (1)
Stoich.:	AB5C20D32 (1)
Weight, g/mol:	373.230017
ΔH_f, kcal/mol:	53.41
Dipole, Da:	3.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752954
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(1H-benzimidazol-2-yl)-N-[3-(diethylamino)propyl]piperidine-1-carbothioamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CCCNC(=S)N1CCC[C@H](C1)C2=NC3=CC=CC=C3N2

DOS

IR

Vibrations