Geometry & MOs

Info

ID:	57639
PubChem CID:	22428913
Reduced:	FOSCl2N2H19C22 (1)
Stoich.:	ABCD2E2F19G22 (1)
Weight, g/mol:	509.117605
ΔH_f, kcal/mol:	-18.2
Dipole, Da:	2.96
IP(EA), eV:	-9.12(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-chlorophenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(4-ethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CCCC2(CC1)N=C(C(=S)N2C(=O)C3=CC=C(C=C3)F)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations