Geometry & MOs

Info

ID:	308512
PubChem CID:	125333325
Reduced:	BrOSF3H6N6C11 (1)
Stoich.:	ABCD3E6F6G11 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-12.77
Dipole, Da:	6.19
IP(EA), eV:	-10.02(-2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[[(6R)-5-oxo-6-phenyl-6H-1,2,4-triazin-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1C(=NN=C1C(=O)NC2=N[C@@H](N=N2)C(F)(F)F)C3=CC=C(S3)Br

DOS

IR

Vibrations