Geometry & MOs

Info

ID:

96600

PubChem CID:

50022710

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

740.288924

ΔHf, kcal/mol:

-188.96

Dipole, Da:

10.13

IP(EA), eV:

 -8.89(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]-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)NCCC(=O)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations