Geometry & MOs

Info

ID:	166321
PubChem CID:	74670238
Reduced:	SN3O4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	371.140055
ΔH_f, kcal/mol:	-186.21
Dipole, Da:	5.11
IP(EA), eV:	-9.12(0.02)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(7-chloro-4-oxo-5H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(C(C)C)NS(=O)(=O)C2CCC3C(C2)C(=O)NC(=O)N3

DOS

IR

Vibrations