Geometry & MOs

Info

ID:

95695

PubChem CID:

50012469

Reduced:

FN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

662.379183

ΔHf, kcal/mol:

-255.74

Dipole, Da:

10.51

IP(EA), eV:

 -8.42(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-2-oxoethyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC(=CC=C4)OC)F

DOS

IR

Vibrations