Geometry & MOs

Info

ID:	309512
PubChem CID:	126546760
Reduced:	ON2S2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	408.138445
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	2.23
IP(EA), eV:	-8.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (3aR,5R)-3a-[(2S)-1-(2,5-difluoro-4-methoxyphenyl)propan-2-yl]-6-oxo-4,5-dihydro-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C(C)(C)NSSC1=CC=CC=N1

DOS

IR

Vibrations