Geometry & MOs

Info

ID:	178389
PubChem CID:	76320971
Reduced:	SN2O5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	434.122634
ΔH_f, kcal/mol:	-117.42
Dipole, Da:	4.95
IP(EA), eV:	-9.19(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-benzyl-3-[(2-cyanophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidine-5-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)O)OC)CC2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations