Geometry & MOs

Info

ID:	61526
PubChem CID:	26710240
Reduced:	ClO2N3H16C20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	478.073213
ΔH_f, kcal/mol:	22.87
Dipole, Da:	4.83
IP(EA), eV:	-8.93(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-1-(2,4-dichloro-5-morpholin-4-ylsulfonylbenzoyl)piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)NC3=CC=NN3CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations