Geometry & MOs

Info

ID:

179865

PubChem CID:

76547504

Reduced:

FON3C19H25 (2)

Stoich.:

ABC3D19E25 (2)

Weight, g/mol:

556.264983

ΔHf, kcal/mol:

-81.16

Dipole, Da:

6.28

IP(EA), eV:

 -8.5(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-butyl-N-[1-(3,5-difluorophenyl)-4-[[1-(3-ethynylphenyl)cyclopropyl]amino]-3-hydroxybutan-2-yl]benzimidazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)C1=NC(=NC(=C1)C(=O)NC(CC2=CC(=CC(=C2)F)F)C(CNC3(CC3)C4=CC=CC(=C4)C#C)O)N(CCC)CCC

DOS

IR

Vibrations