Geometry & MOs

Info

ID:

100121

PubChem CID:

50058557

Reduced:

O4N5C37H39 (1)

Stoich.:

A4B5C37D39 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-98.0

Dipole, Da:

4.89

IP(EA), eV:

 -8.25(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)C

DOS

IR

Vibrations