Geometry & MOs

Info

ID:

106355

PubChem CID:

50159330

Reduced:

N6O6C35H50 (1)

Stoich.:

A6B6C35D50 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-260.56

Dipole, Da:

8.51

IP(EA), eV:

 -8.8(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)OC)C

DOS

IR

Vibrations