Geometry & MOs

Info

ID:	190589
PubChem CID:	78025032
Reduced:	NO8C23H29 (1)
Stoich.:	AB8C23D29 (1)
Weight, g/mol:	549.071439
ΔH_f, kcal/mol:	-235.12
Dipole, Da:	7.8
IP(EA), eV:	-8.38(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-acetylphenyl)-1,3-thiazol-2-yl]sulfanyl]-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1C2(CC=C(C3C2(CCN1C)C4=C(C=CC(=C4O3)OC)C)OC(=O)COCC(=O)O)O

DOS

IR

Vibrations