Geometry & MOs

Info

ID:	196233
PubChem CID:	78799601
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	304.070405
ΔH_f, kcal/mol:	-104.49
Dipole, Da:	1.91
IP(EA), eV:	-8.81(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

azetidin-1-yl-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]phenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC(=C(C=C3)O)O

DOS

IR

Vibrations