Geometry & MOs

Info

ID:	191686
PubChem CID:	78177897
Reduced:	N4O6C17H20 (1)
Stoich.:	A4B6C17D20 (1)
Weight, g/mol:	496.180543
ΔH_f, kcal/mol:	-191.6
Dipole, Da:	6.58
IP(EA), eV:	-9.79(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2C1C(=O)N(C(=O)N2C)C

DOS

IR

Vibrations