Geometry & MOs

Info

ID:

112316

PubChem CID:

50401872

Reduced:

O4N5C34H49 (1)

Stoich.:

A4B5C34D49 (1)

Weight, g/mol:

758.36034

ΔHf, kcal/mol:

-183.67

Dipole, Da:

7.42

IP(EA), eV:

 -8.52(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclopentylcarbamoyl)-2-methoxyphenyl]-1-[1-[1-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(C)C)C

DOS

IR

Vibrations