Geometry & MOs

Info

ID:	35016
PubChem CID:	7979197
Reduced:	ClSN2O2H17C20 (1)
Stoich.:	ABC2D2E17F20 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-5.86
Dipole, Da:	1.57
IP(EA), eV:	-8.86(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-amino-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)CSC2=CC=CC3=C2C(=CC=C3)Cl

DOS

IR

Vibrations