Geometry & MOs

Info

ID:	35086
PubChem CID:	7979290
Reduced:	ClSN3O3H12C14 (1)
Stoich.:	ABC3D3E12F14 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	1.97
IP(EA), eV:	-9.42(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CS2)Cl

DOS

IR

Vibrations