Geometry & MOs

Info

ID:

109805

PubChem CID:

50297921

Reduced:

N3O3C15H20 (2)

Stoich.:

A3B3C15D20 (2)

Weight, g/mol:

584.251396

ΔHf, kcal/mol:

-241.45

Dipole, Da:

5.32

IP(EA), eV:

 -8.59(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)OC)NC(=O)C(C)C)C(=O)N

DOS

IR

Vibrations