Geometry & MOs

Info

ID:

97379

PubChem CID:

50030883

Reduced:

F3O4N5H34C36 (1)

Stoich.:

A3B4C5D34E36 (1)

Weight, g/mol:

754.309053

ΔHf, kcal/mol:

-232.74

Dipole, Da:

8.3

IP(EA), eV:

 -9.01(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-[(4-fluorobenzoyl)amino]-3-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations