Geometry & MOs

Info

ID:	138641
PubChem CID:	52399535
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	334.195309
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	4.12
IP(EA), eV:	-9.22(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-methylpropyl-[(1-methylpyrazol-4-yl)methyl]-[[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)N1C(=CC=N1)NC(=O)CN2C=NC3=C(C2=O)SC=C3

DOS

IR

Vibrations