Geometry & MOs

Info

ID:	237996
PubChem CID:	92728750
Reduced:	ClSN2O5H19C21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	6.02
IP(EA), eV:	-8.79(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-6-[4-(1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC(=CC=C1)Cl)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)OC)OC

DOS

IR

Vibrations