Geometry & MOs

Info

ID:

97951

PubChem CID:

50037297

Reduced:

FSO4N5C33H38 (1)

Stoich.:

ABC4D5E33F38 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-177.53

Dipole, Da:

10.69

IP(EA), eV:

 -8.33(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]-1-[2-[5-[(4-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)NC(C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations