Geometry & MOs

Info

ID:

119642

PubChem CID:

50694896

Reduced:

BrClO4N5C29H37 (1)

Stoich.:

ABC4D5E29F37 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-156.25

Dipole, Da:

8.84

IP(EA), eV:

 -9.12(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations