Geometry & MOs

Info

ID:

107649

PubChem CID:

50212717

Reduced:

FN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-246.6

Dipole, Da:

4.86

IP(EA), eV:

 -9.03(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(diethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N)OC

DOS

IR

Vibrations