Geometry & MOs

Info

ID:	134360
PubChem CID:	51685763
Reduced:	FO2N4H21C26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	373.230017
ΔH_f, kcal/mol:	-4.16
Dipole, Da:	4.84
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)[C@@H](C2=CC=NC=C2)N(C3=CC(=CC=C3)F)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations