Geometry & MOs

Info

ID:	204382
PubChem CID:	79957305
Reduced:	OSN3C13H19 (1)
Stoich.:	ABC3D13E19 (1)
Weight, g/mol:	261.129969
ΔH_f, kcal/mol:	-43.79
Dipole, Da:	2.35
IP(EA), eV:	-8.33(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-2-methylthian-3-amine

Drug info:

PubChemData

Smile

CC1C(CCCS1)NC2=CC(=CC=C2)NC(=O)N

DOS

IR

Vibrations