Geometry & MOs

Info

ID:	34829
PubChem CID:	7978979
Reduced:	ClSO2N4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-12.31
Dipole, Da:	7.95
IP(EA), eV:	-8.37(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-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

CN(C(=S)NCC1=CC=CC=C1)NC(=O)CNC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations