Geometry & MOs

Info

ID:	191150
PubChem CID:	78112130
Reduced:	N2O3C16H21 (2)
Stoich.:	A2B3C16D21 (2)
Weight, g/mol:	373.127385
ΔH_f, kcal/mol:	-236.07
Dipole, Da:	4.41
IP(EA), eV:	-9.43(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-(2-phenylethynyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C=CC=CC(=O)NC

DOS

IR

Vibrations