Geometry & MOs

Info

ID:	328360
PubChem CID:	126700818
Reduced:	FN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	466.192629
ΔH_f, kcal/mol:	14.63
Dipole, Da:	4.39
IP(EA), eV:	-8.89(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-4-methoxy-3-[[7-methyl-6-[1-(2-methyl-1,3-benzothiazol-6-yl)ethenyl]-2,3,4,5-tetrahydro-1,6-benzoxazocin-9-yl]oxy]butan-2-one

Drug info:

PubChemData

Smile

CC(=C)C1=CC(=C(C=C1)C(=NC=C)N)F

DOS

IR

Vibrations