Geometry & MOs

Info

ID:	440268
PubChem CID:	135230199
Reduced:	SO2N7C20H23 (1)
Stoich.:	AB2C7D20E23 (1)
Weight, g/mol:	437.124564
ΔH_f, kcal/mol:	79.14
Dipole, Da:	12.28
IP(EA), eV:	-8.85(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-diazenyl-N-methyl-2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfanyl]benzimidazole-1-carboximidamide

Drug info:

PubChemData

Smile

CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2C4=NN=NN4C)OCCCOC

DOS

IR

Vibrations