Geometry & MOs

Info

ID:	120973
PubChem CID:	50751960
Reduced:	ClSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	437.152161
ΔH_f, kcal/mol:	-88.27
Dipole, Da:	6.18
IP(EA), eV:	-9.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1-anilino-1-oxopropan-2-yl)sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CC(=O)N([C@H]3[C@@H]2CS(=O)(=O)C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations