Geometry & MOs

Info

ID:

105195

PubChem CID:

50106605

Reduced:

O5N6C33H44 (1)

Stoich.:

A5B6C33D44 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-211.15

Dipole, Da:

3.64

IP(EA), eV:

 -9.05(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[5-(cyclopentylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C

DOS

IR

Vibrations