Geometry & MOs

Info

ID:

112873

PubChem CID:

50423493

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-275.05

Dipole, Da:

3.79

IP(EA), eV:

 -8.38(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2-fluorobenzoyl)amino]-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC(=C5)F)F)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations