Geometry & MOs

Info

ID:	136721
PubChem CID:	52089169
Reduced:	SN4O4H20C23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	421.119319
ΔH_f, kcal/mol:	-82.19
Dipole, Da:	5.22
IP(EA), eV:	-9.18(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-6-methyl-3-[(4-methylphenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=CN(C3=O)CC4=CN=CC=C4)C

DOS

IR

Vibrations