Geometry & MOs

Info

ID:	132823
PubChem CID:	51427146
Reduced:	S2O3N4C16H20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	3.73
IP(EA), eV:	-8.57(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1S(=O)(=O)C3=NN=C(S3)NC(=O)CC(C)C

DOS

IR

Vibrations