Geometry & MOs

Info

ID:	337736
PubChem CID:	127258359
Reduced:	NSO3C10H10 (2)
Stoich.:	ABC3D10E10 (2)
Weight, g/mol:	454.424677
ΔH_f, kcal/mol:	-157.88
Dipole, Da:	7.53
IP(EA), eV:	-9.41(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N',N'-bis[3-(octylamino)propyl]butanediamide

Drug info:

PubChemData

Smile

C=CS(=O)(=O)C1=CC=CC(=C1)N(C2=CC(=CC=C2)S(=O)(=O)C=C)C(=O)CCC(=O)N

DOS

IR

Vibrations