Geometry & MOs

Info

ID:	314686
PubChem CID:	126622722
Reduced:	ClSO2N4H25C26 (1)
Stoich.:	ABC2D4E25F26 (1)
Weight, g/mol:	630.184084
ΔH_f, kcal/mol:	23.65
Dipole, Da:	4.25
IP(EA), eV:	-9.06(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[6-[bis(4-chlorophenyl)methyl]-2-cyclopropylbenzimidazol-1-yl]ethyl]phenyl]-2-hydroxy-2-phenylethanone

Drug info:

PubChemData

Smile

C1CC1C2=NC3=C(N2C4CCN(CC4)C(=O)O)C=C(C=C3)C(C5=CC=C(C=C5)Cl)C6=NC=CS6

DOS

IR

Vibrations