Geometry & MOs

Info

ID:	309336
PubChem CID:	126545338
Reduced:	F2O3C17H18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	442.165248
ΔH_f, kcal/mol:	-197.86
Dipole, Da:	4.92
IP(EA), eV:	-9.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (3aR,5R)-3a-[(2S)-1-[2-fluoro-4-methyl-5-(2H-tetrazol-5-yl)phenyl]propan-2-yl]-6-oxo-4,5-dihydro-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C[C@H](C)[C@]23CCC(=O)C=C2OCO3)F

DOS

IR

Vibrations