Geometry & MOs

Info

ID:	125798
PubChem CID:	50938988
Reduced:	FCl2O3N4H25C27 (1)
Stoich.:	AB2C3D4E25F27 (1)
Weight, g/mol:	518.206639
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	6.56
IP(EA), eV:	-8.39(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[4,5-bis(3-methoxyphenyl)-1H-pyrrol-2-yl]methanone

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CC4=C(C=C3)NC(=O)C45CCN(CC5)C(=O)C)N

DOS

IR

Vibrations