Geometry & MOs

Info

ID:	208704
PubChem CID:	80569006
Reduced:	SN2O2C11H16 (1)
Stoich.:	AB2C2D11E16 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	8.1
IP(EA), eV:	-9.07(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CCCCC1)NC2=NC(=CS2)C(=O)O

DOS

IR

Vibrations