Geometry & MOs

Info

ID:	447224
PubChem CID:	135281308
Reduced:	O2N4C11H16 (1)
Stoich.:	A2B4C11D16 (1)
Weight, g/mol:	464.361408
ΔH_f, kcal/mol:	-69.7
Dipole, Da:	6.87
IP(EA), eV:	-8.56(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(E)-octadec-9-enoyl]amino]-6-(prop-2-enoylamino)hexanoic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=CC(=NC=C2)N)NC(=O)O

DOS

IR

Vibrations