Geometry & MOs

Info

ID:	309872
PubChem CID:	126563518
Reduced:	SO5N6C26H34 (1)
Stoich.:	AB5C6D26E34 (1)
Weight, g/mol:	346.07968
ΔH_f, kcal/mol:	-142.49
Dipole, Da:	2.77
IP(EA), eV:	-8.84(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-chlorophenyl)-1-(difluoromethyl)-5,6-dihydrotriazolo[1,5-d][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2CCN(CC2)S(=O)(=O)CCCOC)C)NC(=O)C3=CC(=NC4=CC=CC=C43)C(=O)N

DOS

IR

Vibrations