Geometry & MOs

Info

ID:	122340
PubChem CID:	50803390
Reduced:	SO3N6C26H28 (1)
Stoich.:	AB3C6D26E28 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-15.58
Dipole, Da:	5.9
IP(EA), eV:	-8.46(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-7-[[(4-methoxyphenyl)methyl-methylamino]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCN(CC2)CC3=CC(=O)N4C(=N3)SC(=N4)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations