Geometry & MOs

Info

ID:	35092
PubChem CID:	7979296
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	-107.31
Dipole, Da:	3.84
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations