Geometry & MOs

Info

ID:

106528

PubChem CID:

50166517

Reduced:

O5N6C30H38 (1)

Stoich.:

A5B6C30D38 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-193.46

Dipole, Da:

11.34

IP(EA), eV:

 -9.21(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[3-[(4-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)N

DOS

IR

Vibrations