Geometry & MOs

Info

ID:

92406

PubChem CID:

49985757

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-168.37

Dipole, Da:

1.75

IP(EA), eV:

 -8.95(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations