Geometry & MOs

Info

ID:	340953
PubChem CID:	127263388
Reduced:	O2N3C17H35 (1)
Stoich.:	A2B3C17D35 (1)
Weight, g/mol:	433.318353
ΔH_f, kcal/mol:	-152.55
Dipole, Da:	1.17
IP(EA), eV:	-9.7(0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-6-(diaminomethylideneamino)-1-(ethylamino)-1-oxohexan-2-yl]dodecanamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CN)C(=O)NCC

DOS

IR

Vibrations