Geometry & MOs

Info

ID:	35136
PubChem CID:	7979369
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	361.134779
ΔH_f, kcal/mol:	-10.16
Dipole, Da:	1.84
IP(EA), eV:	-9.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethyl-2-oxobutyl) (3R,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)NNC(=O)C1=CC=CS1

DOS

IR

Vibrations