Geometry & MOs

Info

ID:	192994
PubChem CID:	78335568
Reduced:	BrNO5C25H26 (1)
Stoich.:	ABC5D25E26 (1)
Weight, g/mol:	393.078327
ΔH_f, kcal/mol:	-138.21
Dipole, Da:	1.52
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(2-nitrophenyl)furan-2-yl]-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2C3=C(C(=O)N2CC4=CC=CO4)OC5CCC(CC5C3=O)Br

DOS

IR

Vibrations