Geometry & MOs

Info

ID:

118605

PubChem CID:

50648829

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-176.09

Dipole, Da:

6.47

IP(EA), eV:

 -8.81(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-(cyclohexanecarbonylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations