Geometry & MOs

Info

ID:	313592
PubChem CID:	126616138
Reduced:	Cl2N2O3H28C33 (1)
Stoich.:	A2B2C3D28E33 (1)
Weight, g/mol:	511.148511
ΔH_f, kcal/mol:	-7.87
Dipole, Da:	7.15
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-[2-cyclopropyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-5-yl]-(1,3-thiazol-2-yl)methanol

Drug info:

PubChemData

Smile

CCOC(=O)COC1=CC=C(C=C1)N2C3=C(C=CC(=C3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)N=C2C6CC6

DOS

IR

Vibrations