Geometry & MOs

Info

ID:

106420

PubChem CID:

50162616

Reduced:

O5N6C40H58 (1)

Stoich.:

A5B6C40D58 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-252.89

Dipole, Da:

3.75

IP(EA), eV:

 -8.17(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations