Geometry & MOs

Info

ID:	349202
PubChem CID:	127274928
Reduced:	SN4O4C13H22 (1)
Stoich.:	AB4C4D13E22 (1)
Weight, g/mol:	210.100442
ΔH_f, kcal/mol:	-148.35
Dipole, Da:	11.22
IP(EA), eV:	-9.27(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1,4-oxazepan-4-yl)-(1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)CNS(=O)(=O)C2=CN(C(=N2)C)C

DOS

IR

Vibrations