Geometry & MOs

Info

ID:	132821
PubChem CID:	51427039
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	380.097683
ΔH_f, kcal/mol:	-50.35
Dipole, Da:	3.28
IP(EA), eV:	-8.4(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[5-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-1,3,4-thiadiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CCN1C2=C(C=C1C(=O)NCCCOC)SC=C2

DOS

IR

Vibrations