Geometry & MOs

Info

ID:	310545
PubChem CID:	126581867
Reduced:	O2C16H23 (2)
Stoich.:	A2B16C23 (2)
Weight, g/mol:	455.173959
ΔH_f, kcal/mol:	-199.78
Dipole, Da:	3.25
IP(EA), eV:	-9.16(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-amino-6-(1,3-dimethylpyrazol-4-yl)pyrazin-2-yl]-N-(3,4-dihydro-2H-1,4-oxazin-5-ylmethyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCC1=CC(=C(C(=C1C(=O)OC2CC3CCC2(C3(C)C)C)O)[C@@H]4C=C(CCC4C(=C)C)C)O

DOS

IR

Vibrations