Geometry & MOs

Info

ID:

111399

PubChem CID:

50365075

Reduced:

O5N6C43H62 (1)

Stoich.:

A5B6C43D62 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-256.09

Dipole, Da:

6.05

IP(EA), eV:

 -8.68(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,5-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCCC5C)C)C

DOS

IR

Vibrations