Geometry & MOs

Info

ID:	227569
PubChem CID:	87562009
Reduced:	SN3O4C33H55 (1)
Stoich.:	AB3C4D33E55 (1)
Weight, g/mol:	418.379738
ΔH_f, kcal/mol:	-162.27
Dipole, Da:	9.18
IP(EA), eV:	-9.1(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[amino(benzoyl)amino]-3-methylbutan-2-yl]-dodecyl-dimethylazanium

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[N+](C)(C)C(C)(C(C)C)N(C(=O)C1=CC=CC=C1)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

DOS

IR

Vibrations