Geometry & MOs

Info

ID:	105214
PubChem CID:	50106661
Reduced:	ClO5N6C29H37 (1)
Stoich.:	AB5C6D29E37 (1)
Weight, g/mol:	564.306018
ΔH_f, kcal/mol:	-209.16
Dipole, Da:	7.74
IP(EA), eV:	-9.08(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[2-(diethylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations