Geometry & MOs

Info

ID:	174688
PubChem CID:	75806463
Reduced:	SO3N5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	372.113036
ΔH_f, kcal/mol:	-31.13
Dipole, Da:	7.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.889442
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC1=NN=C(S1)N=C(CC2C(=O)NC3=CC=CC=C3C(=O)N2)[O-]

DOS

IR

Vibrations