Geometry & MOs

Info

ID:	132824
PubChem CID:	51427147
Reduced:	S2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	394.113333
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	7.37
IP(EA), eV:	-8.41(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NC1=NN=C(S1)S(=O)(=O)N2[C@H](CC3=CC=CC=C32)C

DOS

IR

Vibrations