Geometry & MOs

Info

ID:	176122
PubChem CID:	75999271
Reduced:	SO3N5H19C21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	369.100794
ΔH_f, kcal/mol:	32.29
Dipole, Da:	6.42
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-propan-2-yloxadiazol-3-ium-5-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanimidate

Drug info:

PubChemData

Smile

CC(C)[N+]1=NOC(=C1)N=C(CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)[O-]

DOS

IR

Vibrations