Geometry & MOs

Info

ID:	52481
PubChem CID:	12015358
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	312.118401
ΔH_f, kcal/mol:	4.14
Dipole, Da:	5.54
IP(EA), eV:	-9.37(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-3,4-dihydro-1H-2-benzoxepin-5-ylidenemethyl]-1-thiophen-2-ylbut-3-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N/N=C\C2C=CC=C2

DOS

IR

Vibrations