Geometry & MOs

Info

ID:

161098

PubChem CID:

57390758

Reduced:

SCl2N2O7H24C27 (1)

Stoich.:

AB2C2D7E24F27 (1)

Weight, g/mol:

560.146985

ΔHf, kcal/mol:

-210.07

Dipole, Da:

0.98

IP(EA), eV:

 -9.35(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dichloro-2-[(2S)-1-[6-[3-[2-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)C(=CO3)CC(=O)O)NS(=O)(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations