Geometry & MOs

Info

ID:	168653
PubChem CID:	74998949
Reduced:	NaSN2O5C15H21 (1)
Stoich.:	ABC2D5E15F21 (1)
Weight, g/mol:	359.19842
ΔH_f, kcal/mol:	-246.99
Dipole, Da:	11.12
IP(EA), eV:	-8.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[3-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]prop-2-enylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CCOC3CN)C(=O)[O-])C(C)O.[Na+]

DOS

IR

Vibrations