Geometry & MOs

Info

ID:	17233
PubChem CID:	489497
Reduced:	N3O5C23H23 (1)
Stoich.:	A3B5C23D23 (1)
Weight, g/mol:	421.163771
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	3.2
IP(EA), eV:	-9.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S,4R)-2-methyl-2-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

C[C@@]1(OC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COCC4=CC=CC=C4

DOS

IR

Vibrations