Geometry & MOs

Info

ID:

219140

PubChem CID:

85090835

Reduced:

NO12C29H43 (1)

Stoich.:

AB12C29D43 (1)

Weight, g/mol:

416.154328

ΔHf, kcal/mol:

-543.37

Dipole, Da:

2.95

IP(EA), eV:

 -8.86(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[carboxymethyl-[2-[[3-hydroxy-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methylamino]-2-oxoethyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1C(OC(=C(C(=O)NC2C3C(C(C(C(O3)CC(COC(=O)C)OC(=O)C)(C)C)OC)OCO2)OC(=O)C)C=C1C)C

DOS

IR

Vibrations