Geometry & MOs

Info

ID:	415806
PubChem CID:	135088807
Reduced:	S2O3N4C14H20 (1)
Stoich.:	A2B3C4D14E20 (1)
Weight, g/mol:	364.156912
ΔH_f, kcal/mol:	-76.47
Dipole, Da:	3.89
IP(EA), eV:	-8.68(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(1-ethylindazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=N1)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C)SC=C2

DOS

IR

Vibrations