Geometry & MOs

Info

ID:

108998

PubChem CID:

50267796

Reduced:

O4N5C36H43 (1)

Stoich.:

A4B5C36D43 (1)

Weight, g/mol:

706.384269

ΔHf, kcal/mol:

-134.67

Dipole, Da:

4.63

IP(EA), eV:

 -8.62(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)phenyl]-1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)N5CCCCC5)C

DOS

IR

Vibrations