Geometry & MOs

Info

ID:

95674

PubChem CID:

50011743

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-244.1

Dipole, Da:

5.15

IP(EA), eV:

 -9.02(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations