Geometry & MOs

Info

ID:	34827
PubChem CID:	7978977
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	2.22
Dipole, Da:	7.0
IP(EA), eV:	-8.51(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)C2=CC=C(O2)COC3=CC=CC=C3

DOS

IR

Vibrations