Geometry & MOs

Info

ID:	34763
PubChem CID:	7978911
Reduced:	ClSN2O2C22H29 (1)
Stoich.:	ABC2D2E22F29 (1)
Weight, g/mol:	413.129694
ΔH_f, kcal/mol:	-97.69
Dipole, Da:	2.04
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenoxy)ethyl (3R,7aS)-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)CCCSC4=CC=C(C=C4)Cl

DOS

IR

Vibrations