Geometry & MOs

Info

ID:

94431

PubChem CID:

50001007

Reduced:

F3O4N5C29H36 (1)

Stoich.:

A3B4C5D29E36 (1)

Weight, g/mol:

660.399919

ΔHf, kcal/mol:

-295.95

Dipole, Da:

6.96

IP(EA), eV:

 -8.9(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations