Geometry & MOs

Info

ID:	414251
PubChem CID:	135087207
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	364.168145
ΔH_f, kcal/mol:	-114.4
Dipole, Da:	6.33
IP(EA), eV:	-9.83(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(3-propyl-1H-pyrazol-5-yl)methyl]amino]-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N[C@H]1COC[C@H]1CC2=CC=NC=C2

DOS

IR

Vibrations