Geometry & MOs

Info

ID:

120248

PubChem CID:

50719233

Reduced:

ClO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-176.47

Dipole, Da:

4.07

IP(EA), eV:

 -9.17(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N(CC)CC)C

DOS

IR

Vibrations