Geometry & MOs

Info

ID:	135620
PubChem CID:	51903506
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	429.01466
ΔH_f, kcal/mol:	18.9
Dipole, Da:	6.77
IP(EA), eV:	-9.23(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](CC(=O)NCC2=C(N(N=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations