Geometry & MOs

Info

ID:	64656
PubChem CID:	29203809
Reduced:	SN3O5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	423.161663
ΔH_f, kcal/mol:	-108.71
Dipole, Da:	4.74
IP(EA), eV:	-8.6(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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

CC1=NOC(=C1C(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3OC)C(C)C

DOS

IR

Vibrations