Geometry & MOs

Info

ID:	349540
PubChem CID:	127275427
Reduced:	SO2N3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	239.126991
ΔH_f, kcal/mol:	-51.84
Dipole, Da:	4.34
IP(EA), eV:	-9.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=NC=CS2

DOS

IR

Vibrations