Geometry & MOs

Info

ID:	35082
PubChem CID:	7979285
Reduced:	ClSN2O4C17H19 (1)
Stoich.:	ABC2D4E17F19 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-102.05
Dipole, Da:	4.36
IP(EA), eV:	-8.82(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1Cl)C(=O)NNC(=O)C2=CC=CS2)OC

DOS

IR

Vibrations