Geometry & MOs

Info

ID:	233179
PubChem CID:	87692855
Reduced:	SN3F6H17C24 (1)
Stoich.:	AB3C6D17E24 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-190.68
Dipole, Da:	8.49
IP(EA), eV:	-9.2(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-cyclohexyl-6-formyl-1,5-dimethyl-6,7-dihydroindolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1C2=CC3=C(N2CC4CSC(=N4)C5=CC(=CC=C5)C(F)(F)F)C=CC(=C3C(F)(F)F)C#N

DOS

IR

Vibrations