Geometry & MOs

Info

ID:	232390
PubChem CID:	87576113
Reduced:	SN3O6C20H37 (1)
Stoich.:	AB3C6D20E37 (1)
Weight, g/mol:	444.407964
ΔH_f, kcal/mol:	-318.71
Dipole, Da:	5.45
IP(EA), eV:	-9.72(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminoethyl)-N-ethylpentacosa-10,12-diynamide

Drug info:

PubChemData

Smile

CCCCCCCCCCN[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O

DOS

IR

Vibrations