Geometry & MOs

Info

ID:	34706
PubChem CID:	7978849
Reduced:	SN3O5C17H19 (1)
Stoich.:	AB3C5D17E19 (1)
Weight, g/mol:	423.150429
ΔH_f, kcal/mol:	-114.65
Dipole, Da:	6.9
IP(EA), eV:	-9.12(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)/C=C/C2=CC=CO2

DOS

IR

Vibrations