Geometry & MOs

Info

ID:

114892

PubChem CID:

50501222

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-173.92

Dipole, Da:

6.6

IP(EA), eV:

 -8.4(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C)C)Cl

DOS

IR

Vibrations