Geometry & MOs

Info

ID:

105291

PubChem CID:

50106838

Reduced:

N6O6C31H40 (1)

Stoich.:

A6B6C31D40 (1)

Weight, g/mol:

590.321668

ΔHf, kcal/mol:

-233.55

Dipole, Da:

12.19

IP(EA), eV:

 -8.93(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations