Geometry & MOs

Info

ID:	83616
PubChem CID:	49858950
Reduced:	O5N6C30H36 (1)
Stoich.:	A5B6C30D36 (1)
Weight, g/mol:	344.04234
ΔH_f, kcal/mol:	-71.92
Dipole, Da:	5.9
IP(EA), eV:	-8.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5R,6S)-6-(2-bromo-5-fluorophenyl)-6-methoxy-5-methylhex-3-enoate

Drug info:

PubChemData

Smile

CC1=CC2=C(CCCCN2C[C@H](C)ON=C3[C@H]4CCN5C(=O)N(C(=O)N5[C@@H]4[C@@H]([C@H]6[C@@H]3O6)O)C7=CC=CC=C7)N=C1C

DOS

IR

Vibrations