Geometry & MOs

Info

ID:	228515
PubChem CID:	87565137
Reduced:	S2N3O4C16H27 (1)
Stoich.:	A2B3C4D16E27 (1)
Weight, g/mol:	345.310376
ΔH_f, kcal/mol:	-196.66
Dipole, Da:	6.48
IP(EA), eV:	-9.29(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(3-aminopropyl)butane-1,4-diamine;(E)-2-(dimethylamino)pent-2-enoic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(=O)C(C)NC

DOS

IR

Vibrations