Geometry & MOs

Info

ID:	34733
PubChem CID:	7978878
Reduced:	SN3O4C16H21 (1)
Stoich.:	AB3C4D16E21 (1)
Weight, g/mol:	419.151492
ΔH_f, kcal/mol:	-100.98
Dipole, Da:	6.93
IP(EA), eV:	-9.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(tert-butylcarbamoylamino)-2-oxoethyl] (3S,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)CN(C)S(=O)(=O)C1=CC=C(C=C1)C

DOS

IR

Vibrations