Geometry & MOs

Info

ID:	187533
PubChem CID:	77585865
Reduced:	NO3C8H10 (2)
Stoich.:	AB3C8D10 (2)
Weight, g/mol:	479.274384
ΔH_f, kcal/mol:	-233.06
Dipole, Da:	0.56
IP(EA), eV:	-8.42(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-acetyloxyphenyl)-2-(2,6-diaminohexanoylamino)propanoyl]amino]-6-aminohexanoic acid

Drug info:

PubChemData

Smile

C1COC2=C1C=C(C=C2)OCCC3CN(CCN3C(=O)O)C(=O)O

DOS

IR

Vibrations