Geometry & MOs

Info

ID:	16663
PubChem CID:	474501
Reduced:	SN2O2C29H44 (1)
Stoich.:	AB2C2D29E44 (1)
Weight, g/mol:	484.31235
ΔH_f, kcal/mol:	-82.94
Dipole, Da:	4.68
IP(EA), eV:	-8.19(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(4-octoxyphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OCCCCCCCC)S

DOS

IR

Vibrations