Geometry & MOs

Info

ID:	416334
PubChem CID:	135089347
Reduced:	N4O4C17H20 (1)
Stoich.:	A4B4C17D20 (1)
Weight, g/mol:	344.148455
ΔH_f, kcal/mol:	-138.81
Dipole, Da:	4.93
IP(EA), eV:	-9.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)CC(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations