Geometry & MOs

Info

ID:	128403
PubChem CID:	51042896
Reduced:	ClON3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	421.120861
ΔH_f, kcal/mol:	30.27
Dipole, Da:	5.59
IP(EA), eV:	-8.33(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N/C=C\2/C(=NN(C2=O)C3=CC=CC=C3)C)Cl

DOS

IR

Vibrations