Geometry & MOs

Info

ID:	22280
PubChem CID:	596510
Reduced:	SN4C17H18 (1)
Stoich.:	AB4C17D18 (1)
Weight, g/mol:	310.125218
ΔH_f, kcal/mol:	86.6
Dipole, Da:	5.25
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-phenylethyl)benzimidazol-2-yl]methyl carbamimidothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2CSC(=N)N

DOS

IR

Vibrations