Geometry & MOs

Info

ID:

107923

PubChem CID:

50224342

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-217.96

Dipole, Da:

2.47

IP(EA), eV:

 -9.1(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations