Geometry & MOs

Info

ID:	34396
PubChem CID:	7891085
Reduced:	FN4O6H13C16 (1)
Stoich.:	AB4C6D13E16 (1)
Weight, g/mol:	409.128255
ΔH_f, kcal/mol:	-174.86
Dipole, Da:	4.99
IP(EA), eV:	-9.14(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2,3-dihydro-1H-inden-5-yl)-2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NC(=O)NC(=O)COC(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F

DOS

IR

Vibrations