Geometry & MOs

Info

ID:	32428
PubChem CID:	7817213
Reduced:	N2O5C17H18 (1)
Stoich.:	A2B5C17D18 (1)
Weight, g/mol:	335.022076
ΔH_f, kcal/mol:	-91.8
Dipole, Da:	7.56
IP(EA), eV:	-9.11(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(1H-indol-3-yl)-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)O[C@H](C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

DOS

IR

Vibrations