Geometry & MOs

Info

ID:	174687
PubChem CID:	75806462
Reduced:	SN3O4C17H18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	372.113036
ΔH_f, kcal/mol:	-41.6
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.995330
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSCCC(C(=O)[O-])NC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations