Geometry & MOs

Info

ID:	67739
PubChem CID:	46507074
Reduced:	SN3O3C25H31 (1)
Stoich.:	AB3C3D25E31 (1)
Weight, g/mol:	507.965595
ΔH_f, kcal/mol:	-96.68
Dipole, Da:	2.45
IP(EA), eV:	-9.15(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[[3-(4-chlorophenyl)-6-methyl-7-oxo-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CN2C(=O)C(=NC23CCN(CC3)C(=O)OC(C)(C)C)C4=CC=CS4)C

DOS

IR

Vibrations