Geometry & MOs

Info

ID:

105141

PubChem CID:

50106472

Reduced:

N3O3C17H20 (2)

Stoich.:

A3B3C17D20 (2)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-204.91

Dipole, Da:

7.49

IP(EA), eV:

 -8.8(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-methyl-3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N)C)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations