Geometry & MOs

Info

ID:	137454
PubChem CID:	52210142
Reduced:	SO2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	386.128686
ΔH_f, kcal/mol:	-72.54
Dipole, Da:	6.62
IP(EA), eV:	-9.24(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)C

DOS

IR

Vibrations