Geometry & MOs

Info

ID:

101842

PubChem CID:

50065117

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

766.329039

ΔHf, kcal/mol:

-272.95

Dipole, Da:

15.66

IP(EA), eV:

 -8.61(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC(=CC=C6)OC)C

DOS

IR

Vibrations