Geometry & MOs

Info

ID:

99271

PubChem CID:

50049581

Reduced:

FO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

635.267461

ΔHf, kcal/mol:

-189.05

Dipole, Da:

15.79

IP(EA), eV:

 -8.59(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-4-chlorophenyl]-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations