Geometry & MOs

Info

ID:	422064
PubChem CID:	135117120
Reduced:	O3N7C26H33 (1)
Stoich.:	A3B7C26D33 (1)
Weight, g/mol:	316.117155
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	8.39
IP(EA), eV:	-9.48(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dioxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)CC4=CC=NC=C4

DOS

IR

Vibrations