Geometry & MOs

Info

ID:	170116
PubChem CID:	75198280
Reduced:	SN3O5C14H23 (1)
Stoich.:	AB3C5D14E23 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	4.4
IP(EA), eV:	-9.44(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylmorpholin-4-yl)-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C(=O)C(C)NS(=O)(=O)C2=C(ON=C2C)C

DOS

IR

Vibrations