Geometry & MOs

Info

ID:	193864
PubChem CID:	78448757
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	391.150526
ΔH_f, kcal/mol:	-79.17
Dipole, Da:	12.15
IP(EA), eV:	-8.57(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[2-methoxy-4-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CC(C(=O)[O-])[NH2+]CC3=CC=CC=N3

DOS

IR

Vibrations