Geometry & MOs

Info

ID:

112336

PubChem CID:

50403168

Reduced:

ClFO4N5C38H39 (1)

Stoich.:

ABC4D5E38F39 (1)

Weight, g/mol:

768.324703

ΔHf, kcal/mol:

-153.6

Dipole, Da:

6.92

IP(EA), eV:

 -8.95(-1.04)

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-[2-[(4-fluorophenyl)methylcarbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations