Geometry & MOs

Info

ID:

120018

PubChem CID:

50711592

Reduced:

ClO3N4C28H37 (1)

Stoich.:

AB3C4D28E37 (1)

Weight, g/mol:

770.355861

ΔHf, kcal/mol:

-124.57

Dipole, Da:

8.32

IP(EA), eV:

 -8.78(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methoxy-4-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C

DOS

IR

Vibrations