Geometry & MOs

Info

ID:	140705
PubChem CID:	52743237
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	334.997212
ΔH_f, kcal/mol:	-175.53
Dipole, Da:	1.46
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenyl)methylsulfanyl]-1-thiomorpholin-4-ylethanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)C(=O)[C@@H](C(C)C)NC(=O)CC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations