Geometry & MOs

Info

ID:	392394
PubChem CID:	135015341
Reduced:	ON5F6H18C21 (1)
Stoich.:	AB5C6D18E21 (1)
Weight, g/mol:	231.0354
ΔH_f, kcal/mol:	-255.61
Dipole, Da:	6.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.899133
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-thiophen-2-yl-3,4-dihydro-1,4-benzoxazin-2-one

Drug info:

PubChemData

Smile

C1CC2=NN(C=[N+]2[C@@H]1CNC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=CC=C4

DOS

IR

Vibrations