Geometry & MOs

Info

ID:	348841
PubChem CID:	127274489
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	352.091535
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	4.75
IP(EA), eV:	-9.62(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-1,4-oxazepan-4-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=C(C=CS2)C#N

DOS

IR

Vibrations