Geometry & MOs

Info

ID:	193632
PubChem CID:	78415946
Reduced:	FOSN5H14C18 (1)
Stoich.:	ABCD5E14F18 (1)
Weight, g/mol:	407.054438
ΔH_f, kcal/mol:	67.58
Dipole, Da:	5.18
IP(EA), eV:	-9.01(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=NC(=O)C3C=CC=CC3=N2)C4=CC(=CC=C4)F

DOS

IR

Vibrations