Geometry & MOs

Info

ID:	37098
PubChem CID:	8016883
Reduced:	FN3O3H16C18 (1)
Stoich.:	AB3C3D16E18 (1)
Weight, g/mol:	392.155849
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	4.62
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,7aR)-N-(2,3-dihydro-1H-inden-5-yl)-7a-(4-methylphenyl)-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@H]2C(=O)N(C(=O)N2)CC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations