Geometry & MOs

Info

ID:	173677
PubChem CID:	75668011
Reduced:	S2N3O3C19H24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	362.026976
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	7.49
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.154605
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-5-(2,4-difluorophenyl)-2,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=C3C=CC4=NC(=NS(=O)(=O)C)SC4=C3)[O-])C)C

DOS

IR

Vibrations