Geometry & MOs

Info

ID:	131541
PubChem CID:	51223198
Reduced:	NSO4C19H19 (1)
Stoich.:	ABC4D19E19 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	6.65
IP(EA), eV:	-9.1(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)SCC(COC3=CC=C(C=C3)C#N)O)OC1

DOS

IR

Vibrations