Geometry & MOs

Info

ID:	323508
PubChem CID:	126675063
Reduced:	NO2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	168.060886
ΔH_f, kcal/mol:	-107.32
Dipole, Da:	2.72
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5,7,8-tetrahydro-2H-1,4-benzoxathiepine

Drug info:

PubChemData

Smile

CC1(CC1)NC(=O)C2(CCCCC2)NC(=O)C3=CC4=C(O3)C=C(C=C4)C5=CC=C(C=C5)C6(CCC6)O

DOS

IR

Vibrations