Geometry & MOs

Info

ID:	15087
PubChem CID:	429139
Reduced:	PN3O7C14H22 (1)
Stoich.:	AB3C7D14E22 (1)
Weight, g/mol:	375.119537
ΔH_f, kcal/mol:	-337.36
Dipole, Da:	8.32
IP(EA), eV:	-9.02(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)C=NC(CCCCN)C(=O)O)COP(=O)(O)O

DOS

IR

Vibrations