Geometry & MOs

Info

ID:	443208
PubChem CID:	135258103
Reduced:	SO5N7C20H27 (1)
Stoich.:	AB5C7D20E27 (1)
Weight, g/mol:	411.104281
ΔH_f, kcal/mol:	-165.03
Dipole, Da:	5.72
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-[[(4R)-4-carboxy-5-iminopentanoyl]amino]ethoxy-hydroxyphosphoryl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)OC3CC(OC3N4C=NC5=C(N=CN=C54)N)CO)NC(=O)N2

DOS

IR

Vibrations