Geometry & MOs

Info

ID:

424541

PubChem CID:

135123059

Reduced:

NP2O9C19H35 (1)

Stoich.:

AB2C9D19E35 (1)

Weight, g/mol:

635.192245

ΔHf, kcal/mol:

-443.91

Dipole, Da:

11.6

IP(EA), eV:

 -9.18(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(2S)-4-[6-[(4-chloro-2-fluorophenyl)methoxy]pyridin-2-yl]-2-(trifluoromethyl)piperazin-1-yl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

COCCN(CCP(CCC(=O)O)CCC(=O)O)CCP(CCC(=O)O)CCC(=O)O

DOS

IR

Vibrations