Geometry & MOs

Info

ID:	174692
PubChem CID:	75806467
Reduced:	F3N3O3H13C20 (1)
Stoich.:	A3B3C3D13E20 (1)
Weight, g/mol:	316.050435
ΔH_f, kcal/mol:	-166.1
Dipole, Da:	8.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.876458
Charge, e:	-1

Chem-info

IUPAC name:

2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(1,3,4-thiadiazol-2-yl)ethanimidate

Drug info:

PubChemData

Smile

C1C(C2=C(C(=CN2C3=CC=CC(=C3)C(F)(F)F)C(=O)[O-])NC1=O)C4=CN=CC=C4

DOS

IR

Vibrations