Geometry & MOs

Info

ID:	245302
PubChem CID:	99443269
Reduced:	FNSO5C20H24 (1)
Stoich.:	ABCD5E20F24 (1)
Weight, g/mol:	448.258674
ΔH_f, kcal/mol:	-216.52
Dipole, Da:	4.45
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-N-methylacetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C(C)C)F

DOS

IR

Vibrations