Geometry & MOs

Info

ID:

115343

PubChem CID:

50519620

Reduced:

ClN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

632.228074

ΔHf, kcal/mol:

-215.34

Dipole, Da:

3.12

IP(EA), eV:

 -7.95(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[5-chloro-2-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N(C)C)OC

DOS

IR

Vibrations