Geometry & MOs

Info

ID:	138144
PubChem CID:	52317816
Reduced:	N4O4C25H29 (1)
Stoich.:	A4B4C25D29 (1)
Weight, g/mol:	427.093498
ΔH_f, kcal/mol:	-94.39
Dipole, Da:	1.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125644
Charge, e:	0

Chem-info

IUPAC name:

2-[(4S)-4-(3-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C[NH+](CC2)CC3=CC=CC=C3)C(=O)N1CC(=O)NC4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations