Geometry & MOs

Info

ID:	9845
PubChem CID:	93888
Reduced:	O3N4C22H44 (1)
Stoich.:	A3B4C22D44 (1)
Weight, g/mol:	412.341341
ΔH_f, kcal/mol:	-198.95
Dipole, Da:	6.23
IP(EA), eV:	-9.5(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(diaminomethylideneamino)-2-(hexadecanoylamino)pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations