Geometry & MOs

Info

ID:	55655
PubChem CID:	17395745
Reduced:	SN2O3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	315.126615
ΔH_f, kcal/mol:	-110.06
Dipole, Da:	2.38
IP(EA), eV:	-9.9(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-5-[2,5-dimethyl-1-(1H-1,2,4-triazol-5-yl)pyrrol-3-yl]-6H-1,3,4-thiadiazin-2-amine

Drug info:

PubChemData

Smile

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC

DOS

IR

Vibrations