Geometry & MOs

Info

ID:	64657
PubChem CID:	29203810
Reduced:	SN3O3C23H25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	6.78
IP(EA), eV:	-8.82(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)SC3=NN=C(O3)COC4=C(C=CC(=C4)C)C

DOS

IR

Vibrations