Geometry & MOs

Info

ID:

102253

PubChem CID:

50065674

Reduced:

F2N6O6C41H48 (1)

Stoich.:

A2B6C6D41E48 (1)

Weight, g/mol:

770.303968

ΔHf, kcal/mol:

-306.28

Dipole, Da:

15.93

IP(EA), eV:

 -8.18(-0.52)

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-[3-[(2-fluorobenzoyl)amino]-4-methoxyphenyl]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)C6CCCCC6)OC

DOS

IR

Vibrations