Geometry & MOs

Info

ID:	70231
PubChem CID:	47213205
Reduced:	SO2N5C12H19 (1)
Stoich.:	AB2C5D12E19 (1)
Weight, g/mol:	376.102768
ΔH_f, kcal/mol:	2.14
Dipole, Da:	7.17
IP(EA), eV:	-9.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1CN(C2CC2)S(=O)(=O)N(C)CCC#N

DOS

IR

Vibrations