Geometry & MOs

Info

ID:

109264

PubChem CID:

50278808

Reduced:

ClFN5O5C35H39 (1)

Stoich.:

ABC5D5E35F39 (1)

Weight, g/mol:

736.313996

ΔHf, kcal/mol:

-210.83

Dipole, Da:

7.9

IP(EA), eV:

 -8.68(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2-chlorobenzoyl)amino]-4-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5)C)F

DOS

IR

Vibrations