Geometry & MOs

Info

ID:	35230
PubChem CID:	7979544
Reduced:	ClN2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	381.103479
ΔH_f, kcal/mol:	-54.28
Dipole, Da:	2.68
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations