Geometry & MOs

Info

ID:	34804
PubChem CID:	7978953
Reduced:	SO4N5C19H21 (1)
Stoich.:	AB4C5D19E21 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	5.3
IP(EA), eV:	-8.63(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl)methyl (3S,7aS)-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)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations