Geometry & MOs

Info

ID:	46672
PubChem CID:	10526146
Reduced:	FN2O4H21C24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	421.152
ΔH_f, kcal/mol:	-121.28
Dipole, Da:	1.05
IP(EA), eV:	-9.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4aS,7R,8aR)-4,4,7-trimethyl-2-[(1R)-1-phenylselanylethyl]-4a,5,6,7,8,8a-hexahydro-2H-benzo[e][1,3]oxazin-3-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(C2=NC3=C(O2)C=CC(=C3)F)O)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations