Geometry & MOs

Info

ID:

113886

PubChem CID:

50462673

Reduced:

FO5N6C43H49 (1)

Stoich.:

AB5C6D43E49 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-220.48

Dipole, Da:

9.6

IP(EA), eV:

 -8.73(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)phenyl]-1-[1-[1-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations