Geometry & MOs

Info

ID:

119139

PubChem CID:

50671169

Reduced:

BrClO4N5C29H35 (1)

Stoich.:

ABC4D5E29F35 (1)

Weight, g/mol:

732.320224

ΔHf, kcal/mol:

-153.4

Dipole, Da:

4.15

IP(EA), eV:

 -9.2(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations