Geometry & MOs

Info

ID:

93955

PubChem CID:

49997772

Reduced:

O5N6C34H48 (1)

Stoich.:

A5B6C34D48 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-230.39

Dipole, Da:

2.32

IP(EA), eV:

 -9.18(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)C

DOS

IR

Vibrations