Geometry & MOs

Info

ID:	34995
PubChem CID:	7979176
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	391.120192
ΔH_f, kcal/mol:	-103.27
Dipole, Da:	7.08
IP(EA), eV:	-9.16(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NNC(=O)CCS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations