Geometry & MOs

Info

ID:	122348
PubChem CID:	50803529
Reduced:	OSN4C23H32 (1)
Stoich.:	ABC4D23E32 (1)
Weight, g/mol:	412.229683
ΔH_f, kcal/mol:	2.5
Dipole, Da:	4.15
IP(EA), eV:	-8.99(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-methylpropyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-2-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CCCCC1=NN2C(=O)C=C(N=C2S1)CN(CCC)CC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations