Geometry & MOs

Info

ID:	132436
PubChem CID:	51362136
Reduced:	O3N4C33H36 (1)
Stoich.:	A3B4C33D36 (1)
Weight, g/mol:	335.96804
ΔH_f, kcal/mol:	-60.5
Dipole, Da:	4.95
IP(EA), eV:	-8.57(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-6-bromo-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4C5=CC=CC=C5C(=O)N4CCC(=O)NCCCN6CCOCC6

DOS

IR

Vibrations