Geometry & MOs

Info

ID:	120044
PubChem CID:	50712070
Reduced:	ClN4O4C28H35 (1)
Stoich.:	AB4C4D28E35 (1)
Weight, g/mol:	527.229932
ΔH_f, kcal/mol:	-150.19
Dipole, Da:	6.45
IP(EA), eV:	-9.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoylphenyl)-1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations