Geometry & MOs

Info

ID:	36747
PubChem CID:	8012127
Reduced:	SO2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	357.089561
ΔH_f, kcal/mol:	-1.15
Dipole, Da:	2.59
IP(EA), eV:	-9.66(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)NC(=C1C#N)SCC2=C(ON=C2C)C

DOS

IR

Vibrations