Geometry & MOs

Info

ID:	38008
PubChem CID:	8026354
Reduced:	FO3N4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	366.082033
ΔH_f, kcal/mol:	-108.87
Dipole, Da:	13.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790046
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+](C)CC3=CC=CC=C3F

DOS

IR

Vibrations