Geometry & MOs

Info

ID:

110420

PubChem CID:

50324002

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-173.3

Dipole, Da:

7.8

IP(EA), eV:

 -8.46(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[3-oxo-3-[4-(propanoylamino)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N(C)C)C

DOS

IR

Vibrations