Geometry & MOs

Info

ID:	165678
PubChem CID:	74583079
Reduced:	OSN2Cl3H11C13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	487.182416
ΔH_f, kcal/mol:	-25.89
Dipole, Da:	4.57
IP(EA), eV:	-8.86(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-cyano-4-[4-(dimethylamino)phenyl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CSC3C2C(=O)NC(N3)CCl)Cl)Cl

DOS

IR

Vibrations