Geometry & MOs

Info

ID:	236902
PubChem CID:	92715571
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	451.167811
ΔH_f, kcal/mol:	-107.79
Dipole, Da:	5.37
IP(EA), eV:	-9.07(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NNC(=O)[C@@H]3[C@H]2CCCC3)S(=O)(=O)N4CCCCCC4

DOS

IR

Vibrations