Geometry & MOs

Info

ID:	13730
PubChem CID:	397272
Reduced:	SN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	427.120192
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	4.25
IP(EA), eV:	-9.04(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)N(C2=S)C3=CC=C(C=C3)OC

DOS

IR

Vibrations