Geometry & MOs

Info

ID:	128971
PubChem CID:	51064224
Reduced:	BrNSO5H18C22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	389.137556
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	5.32
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations