Geometry & MOs

Info

ID:

92224

PubChem CID:

49984398

Reduced:

ClO4N5C35H40 (1)

Stoich.:

AB4C5D35E40 (1)

Weight, g/mol:

631.297011

ΔHf, kcal/mol:

-139.38

Dipole, Da:

6.81

IP(EA), eV:

 -8.86(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[(2,6-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations