Geometry & MOs

Info

ID:	141465
PubChem CID:	52880322
Reduced:	ClOSN5H18C19 (1)
Stoich.:	ABCD5E18F19 (1)
Weight, g/mol:	388.07363
ΔH_f, kcal/mol:	98.58
Dipole, Da:	6.39
IP(EA), eV:	-8.91(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-propyl-2-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanyl]benzimidazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=NN=C2SC[C@H]3CN=C(NO3)C4=CC=CC=C4)Cl

DOS

IR

Vibrations