Geometry & MOs

Info

ID:	128414
PubChem CID:	51043139
Reduced:	O3N4C20H24 (1)
Stoich.:	A3B4C20D24 (1)
Weight, g/mol:	450.060961
ΔH_f, kcal/mol:	-65.84
Dipole, Da:	0.79
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)NC(=O)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations