Geometry & MOs

Info

ID:	166869
PubChem CID:	74746450
Reduced:	SN4O4C16H25 (1)
Stoich.:	AB4C4D16E25 (1)
Weight, g/mol:	275.131501
ΔH_f, kcal/mol:	-128.51
Dipole, Da:	6.08
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756895
Charge, e:	1

Chem-info

IUPAC name:

12-chloro-4-ethyl-1-aza-4-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC[NH+](C1)CC(=O)NNC(=O)CC2=NC(=CS2)C

DOS

IR

Vibrations