Geometry & MOs

Info

ID:	307820
PubChem CID:	125309559
Reduced:	N2O5C26H32 (1)
Stoich.:	A2B5C26D32 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-187.46
Dipole, Da:	1.44
IP(EA), eV:	-8.93(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-8-[3-(aminomethyl)-5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl]-3-(2-methylpyrimidin-5-yl)octanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCCCN)C(=O)[C@@H](C1C2=CC=CC=C2C3=CC=CC=C13)OC=O

DOS

IR

Vibrations