Geometry & MOs

Info

ID:	309341
PubChem CID:	126545494
Reduced:	O5C24H30 (1)
Stoich.:	A5B24C30 (1)
Weight, g/mol:	362.169351
ΔH_f, kcal/mol:	-175.04
Dipole, Da:	5.11
IP(EA), eV:	-8.63(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7aS)-7a-[1-(2,5-difluoro-4-methoxyphenyl)propan-2-yl]-6-prop-2-enyl-2,3,6,7-tetrahydro-1-benzofuran-5-one

Drug info:

PubChemData

Smile

CC(CC1=CC(=C(C=C1)OC)OC(=O)C)[C@]23C[C@@H](C(=O)C=C2CCO3)C(C)C=C

DOS

IR

Vibrations