Geometry & MOs

Info

ID:	37799
PubChem CID:	8024577
Reduced:	OSN2C10H10 (2)
Stoich.:	ABC2D10E10 (2)
Weight, g/mol:	412.102768
ΔH_f, kcal/mol:	20.62
Dipole, Da:	6.98
IP(EA), eV:	-8.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,3-dihydroindol-1-yl)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2=CC=CC=C21)SC3=NN=C(S3)NC4=CC=CC=C4OC

DOS

IR

Vibrations