Geometry & MOs

Info

ID:	354549
PubChem CID:	127287163
Reduced:	OSN5C17H31 (1)
Stoich.:	ABC5D17E31 (1)
Weight, g/mol:	380.072531
ΔH_f, kcal/mol:	-31.05
Dipole, Da:	4.65
IP(EA), eV:	-8.67(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C(C)NC(=O)N(C)CCN(C)C2CCN(CC2)C

DOS

IR

Vibrations