Geometry & MOs

Info

ID:

102740

PubChem CID:

50069552

Reduced:

O5N6C38H46 (1)

Stoich.:

A5B6C38D46 (1)

Weight, g/mol:

764.349775

ΔHf, kcal/mol:

-180.12

Dipole, Da:

7.79

IP(EA), eV:

 -8.46(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations