Geometry & MOs

Info

ID:	396007
PubChem CID:	135027183
Reduced:	PSN3O3C15H18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	396.13953
ΔH_f, kcal/mol:	-98.89
Dipole, Da:	1.94
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,4S)-6-[(1S)-cyclohex-2-en-1-yl]-2-oxo-6-phenyl-4-thiophen-2-yloxane-3-carboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(C1=C(N2C(=NC(=N2)C3=CC=CC=C3)S1)C)OCC

DOS

IR

Vibrations