Geometry & MOs

Info

ID:	346255
PubChem CID:	127270759
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	-195.44
Dipole, Da:	5.46
IP(EA), eV:	-8.6(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-(2-oxoazepan-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)N(CC1CCCO1)C2CCSC2)N3C(=O)C4(CCCC4)NC3=O

DOS

IR

Vibrations