Geometry & MOs

Info

ID:

96419

PubChem CID:

50020799

Reduced:

ClFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-181.62

Dipole, Da:

5.39

IP(EA), eV:

 -9.03(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations