Geometry & MOs

Info

ID:	162235
PubChem CID:	57394018
Reduced:	N3H19C21 (1)
Stoich.:	A3B19C21 (1)
Weight, g/mol:	316.163436
ΔH_f, kcal/mol:	107.79
Dipole, Da:	4.76
IP(EA), eV:	-8.88(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]octanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)N3C=CC=C3)N4C=CN=C4

DOS

IR

Vibrations