Geometry & MOs

Info

ID:	34945
PubChem CID:	7979120
Reduced:	ClN2O2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	415.108959
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	1.17
IP(EA), eV:	-9.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)CCCC(=O)NNC(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations