Geometry & MOs

Info

ID:	155233
PubChem CID:	56323065
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	481.176147
ΔH_f, kcal/mol:	-85.41
Dipole, Da:	9.02
IP(EA), eV:	-8.39(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(benzylamino)-3-(2-methoxyethyl)-2,6-dioxopyrimidin-4-yl]-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)/C=C/C(=O)NC2=C(C(=O)NC(=O)N2CCOC)NCC3=CC=CC=C3

DOS

IR

Vibrations