Geometry & MOs

Info

ID:	59064
PubChem CID:	24770717
Reduced:	SN2F3O5C27H31 (1)
Stoich.:	AB2C3D5E27F31 (1)
Weight, g/mol:	445.163771
ΔH_f, kcal/mol:	-296.61
Dipole, Da:	7.04
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,6-diphenyl-3,6-dihydrooxazin-2-yl)-N-(2-hydroxyethyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1C[C@H](N([C@H](C1)C2(CC2)OC(=O)N3CCC(CC3)CO)S(=O)(=O)C4=CC(=C(C=C4)F)F)C5=CC(=CC=C5)F

DOS

IR

Vibrations