Geometry & MOs

Info

ID:	139660
PubChem CID:	52576101
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	443.184506
ΔH_f, kcal/mol:	-167.23
Dipole, Da:	3.6
IP(EA), eV:	-9.28(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-5,6-diphenyl-1,2,4-triazin-3-one

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)N[C@@H](CC(=O)OC)C2=CC=C(C=C2)C

DOS

IR

Vibrations