Geometry & MOs

Info

ID:

101227

PubChem CID:

50064486

Reduced:

F4O5N6H38C40 (1)

Stoich.:

A4B5C6D38E40 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-312.3

Dipole, Da:

15.91

IP(EA), eV:

 -8.89(-0.78)

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-[2-fluoro-5-[(2-methylbenzoyl)amino]phenyl]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=C(C=CC(=C5)NC(=O)C6=CC=CC=C6F)F

DOS

IR

Vibrations