Geometry & MOs

Info

ID:

117717

PubChem CID:

50612685

Reduced:

ClN6O6C37H43 (1)

Stoich.:

AB6C6D37E43 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-211.74

Dipole, Da:

5.62

IP(EA), eV:

 -8.81(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations