Geometry & MOs

Info

ID:	34947
PubChem CID:	7979122
Reduced:	ClN2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	415.108959
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	7.67
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)/C=C/C(=O)NNC(=O)C2=CC(=CC=C2)Cl)OC

DOS

IR

Vibrations