Geometry & MOs

Info

ID:	174689
PubChem CID:	75806464
Reduced:	SO3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	374.0923
ΔH_f, kcal/mol:	-33.74
Dipole, Da:	8.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893988
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)N=C(CCC2C(=O)NC3=CC=CC=C3C(=O)N2)[O-]

DOS

IR

Vibrations