Geometry & MOs

Info

ID:

106231

PubChem CID:

50153846

Reduced:

O5N6C38H50 (1)

Stoich.:

A5B6C38D50 (1)

Weight, g/mol:

714.334125

ΔHf, kcal/mol:

-199.71

Dipole, Da:

10.25

IP(EA), eV:

 -8.69(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)N6CCCCC6

DOS

IR

Vibrations