Geometry & MOs

Info

ID:	84557
PubChem CID:	49867882
Reduced:	PN5O11C21H30 (1)
Stoich.:	AB5C11D21E30 (1)
Weight, g/mol:	347.088237
ΔH_f, kcal/mol:	-547.22
Dipole, Da:	5.49
IP(EA), eV:	-9.73(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-[[(Z)-[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CNC(=O)C[C@@H](CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)N)C(=O)N

DOS

IR

Vibrations