Geometry & MOs

Info

ID:	348911
PubChem CID:	127274636
Reduced:	NSF2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	390.136176
ΔH_f, kcal/mol:	-137.33
Dipole, Da:	5.07
IP(EA), eV:	-8.81(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-methylpyrazol-3-yl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CC2=CC(=C(C=C2N(C1)S(=O)(=O)C3CC3)F)F

DOS

IR

Vibrations