Geometry & MOs

Info

ID:	227380
PubChem CID:	87561583
Reduced:	FS2O3N4H27C35 (1)
Stoich.:	AB2C3D4E27F35 (1)
Weight, g/mol:	158.026232
ΔH_f, kcal/mol:	10.17
Dipole, Da:	4.43
IP(EA), eV:	-8.5(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-amino-1,2,4-thiadiazol-3-yl)methyl]formamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C(=C(C=C2)OC3=C4C(=NC=C3)C=CS4)F)C5=CC=C(C=C5)OCCC6=CC=CC=N6

DOS

IR

Vibrations