Geometry & MOs

Info

ID:	44475
PubChem CID:	10503693
Reduced:	NSO5C24H35 (1)
Stoich.:	ABC5D24E35 (1)
Weight, g/mol:	448.247947
ΔH_f, kcal/mol:	-202.37
Dipole, Da:	5.21
IP(EA), eV:	-8.91(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(10-azaniumyldecyldisulfanyl)decylazanium;dichloride

Drug info:

PubChemData

Smile

C[C@H]1C/C=C\C[C@@H]([C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)C(=O)OC/C(=C/C2=CSC(=N2)C)/C

DOS

IR

Vibrations