Geometry & MOs

Info

ID:	143603
PubChem CID:	53234378
Reduced:	Cl2O2N3H17C19 (1)
Stoich.:	A2B2C3D17E19 (1)
Weight, g/mol:	353.094646
ΔH_f, kcal/mol:	-21.82
Dipole, Da:	3.92
IP(EA), eV:	-8.88(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-cyclopropyltriazol-1-yl)-4,5-dihydro-[1]benzoxepino[5,4-d][1,3]thiazole-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1OC2=CC=C(C=C2)Cl)C(=O)C3=CN4C=C(C=CC4=N3)Cl

DOS

IR

Vibrations