Geometry & MOs

Info

ID:

95379

PubChem CID:

50008886

Reduced:

O5N6C30H38 (1)

Stoich.:

A5B6C30D38 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-187.77

Dipole, Da:

8.36

IP(EA), eV:

 -8.95(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)C(=O)NC

DOS

IR

Vibrations