Geometry & MOs

Info

ID:	139447
PubChem CID:	52531952
Reduced:	ClN2O2S2H17C18 (1)
Stoich.:	AB2C2D2E17F18 (1)
Weight, g/mol:	386.075885
ΔH_f, kcal/mol:	-15.06
Dipole, Da:	3.13
IP(EA), eV:	-9.17(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CS1)NC(=O)CC2=CSC(=N2)COC3=CC=C(C=C3)Cl

DOS

IR

Vibrations