Geometry & MOs

Info

ID:	34753
PubChem CID:	7978898
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	-153.05
Dipole, Da:	3.97
IP(EA), eV:	-9.15(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenoxy)ethyl (3R,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)CCCN4C5=CC=CC=C5OC4=O

DOS

IR

Vibrations