Geometry & MOs

Info

ID:	34948
PubChem CID:	7979123
Reduced:	NSO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	415.108959
ΔH_f, kcal/mol:	-203.25
Dipole, Da:	3.67
IP(EA), eV:	-9.21(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)COC(=O)[C@@H]2CS[C@]3(N2C(=O)CC3)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations