Geometry & MOs

Info

ID:

96172

PubChem CID:

50019314

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

754.304574

ΔHf, kcal/mol:

-236.84

Dipole, Da:

6.74

IP(EA), eV:

 -8.96(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations