Geometry & MOs

Info

ID:	365246
PubChem CID:	127317591
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-30.24
Dipole, Da:	4.5
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4C=C3O

DOS

IR

Vibrations