Geometry & MOs

Info

ID:	115310
PubChem CID:	50518374
Reduced:	ClN4O5C27H35 (1)
Stoich.:	AB4C5D27E35 (1)
Weight, g/mol:	570.235746
ΔH_f, kcal/mol:	-191.1
Dipole, Da:	5.3
IP(EA), eV:	-8.46(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)OC)OC)Cl

DOS

IR

Vibrations