Geometry & MOs

Info

ID:	34747
PubChem CID:	7978892
Reduced:	N4O5C21H26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	3.57
IP(EA), eV:	-9.22(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)CNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations