Geometry & MOs

Info

ID:	349538
PubChem CID:	127275425
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	295.135448
ΔH_f, kcal/mol:	-61.24
Dipole, Da:	2.8
IP(EA), eV:	-9.04(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations