Geometry & MOs

Info

ID:	136722
PubChem CID:	52089936
Reduced:	ClN3O3H20C23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	461.010074
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	7.01
IP(EA), eV:	-8.57(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C=NC3=C(C2=O)C(=C(O3)C)C(=O)NC4=CC(=C(C=C4)C)Cl

DOS

IR

Vibrations