Geometry & MOs

Info

ID:	340954
PubChem CID:	127263389
Reduced:	ClO2N5C21H44 (1)
Stoich.:	AB2C5D21E44 (1)
Weight, g/mol:	397.341676
ΔH_f, kcal/mol:	-186.32
Dipole, Da:	3.15
IP(EA), eV:	-9.2(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=O)N[C@@H](CCCCN=C(N)N)C(=O)NCC.Cl

DOS

IR

Vibrations