Geometry & MOs

Info

ID:	219035
PubChem CID:	85090394
Reduced:	ClNSO6C27H40 (1)
Stoich.:	ABCD6E27F40 (1)
Weight, g/mol:	381.137468
ΔH_f, kcal/mol:	-277.09
Dipole, Da:	4.9
IP(EA), eV:	-8.91(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

3-[4-[(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl-trimethylazanium

Drug info:

PubChemData

Smile

CCC1C(C(CCCC(=CCC(OC(=O)CC(C(C1=O)(C)C)O)C(=CC2=CSC(=N2)CO)Cl)C)C)O

DOS

IR

Vibrations