Geometry & MOs

Info

ID:	90065
PubChem CID:	49966133
Reduced:	SF2N3O4H9C17 (1)
Stoich.:	AB2C3D4E9F17 (1)
Weight, g/mol:	290.105528
ΔH_f, kcal/mol:	-174.92
Dipole, Da:	5.15
IP(EA), eV:	-9.13(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydro-5H-naphtho[2,1-c][1,5]benzodiazepine-7-carboxylic acid

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C(=C3)C(F)F)C5=C(S4)C(=O)NC(=O)N5

DOS

IR

Vibrations