Geometry & MOs

Info

ID:

95863

PubChem CID:

50015970

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

644.368619

ΔHf, kcal/mol:

-222.98

Dipole, Da:

6.35

IP(EA), eV:

 -8.64(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(cyclopentylcarbamoyl)-2-methylphenyl]-1-[1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4F

DOS

IR

Vibrations