Geometry & MOs

Info

ID:	49302
PubChem CID:	11532746
Reduced:	SN4O4H22C24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	462.215472
ΔH_f, kcal/mol:	-77.45
Dipole, Da:	5.63
IP(EA), eV:	-8.4(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(1-adamantyl)phenyl]ethynyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CSC(=C1)C(C)N2C(=O)C3=CC=CC=C3C2(C4=CC5=C(C=C4)N=C(N5)NC(=O)OC)O

DOS

IR

Vibrations