Geometry & MOs

Info

ID:	49566
PubChem CID:	11533271
Reduced:	ClN2S2O4C23H23 (1)
Stoich.:	AB2C2D4E23F23 (1)
Weight, g/mol:	491.13042
ΔH_f, kcal/mol:	-109.18
Dipole, Da:	7.96
IP(EA), eV:	-8.83(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-[(7-nitro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)N3CCC4=C(C3)SC5=C4C=C(C=C5)Cl

DOS

IR

Vibrations