Geometry & MOs

Info

ID:

94705

PubChem CID:

50003371

Reduced:

FO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-232.26

Dipole, Da:

8.25

IP(EA), eV:

 -8.77(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-chloro-5-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations