Geometry & MOs

Info

ID:	34777
PubChem CID:	7978925
Reduced:	N2O4C25H34 (1)
Stoich.:	A2B4C25D34 (1)
Weight, g/mol:	383.119129
ΔH_f, kcal/mol:	-172.03
Dipole, Da:	5.32
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations