Geometry & MOs

Info

ID:	21794
PubChem CID:	590187
Reduced:	ClSN2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	330.095748
ΔH_f, kcal/mol:	38.97
Dipole, Da:	3.77
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylphenyl)methylsulfanyl]-6-chloro-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(N2)C=C(C=C3)Cl

DOS

IR

Vibrations