Geometry & MOs

Info

ID:

112333

PubChem CID:

50402941

Reduced:

ClF2O5N6C40H45 (1)

Stoich.:

AB2C5D6E40F45 (1)

Weight, g/mol:

780.34469

ΔHf, kcal/mol:

-267.0

Dipole, Da:

8.48

IP(EA), eV:

 -9.06(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl)C(=O)NC6=C(C=CC(=C6)F)F

DOS

IR

Vibrations