Geometry & MOs

Info

ID:	236966
PubChem CID:	92716473
Reduced:	FSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	274.146999
ΔH_f, kcal/mol:	-175.75
Dipole, Da:	3.32
IP(EA), eV:	-9.47(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-(2-methylphenyl)-5,6-dihydro-4H-pyrrolo[1,2-a][1,4]benzodiazepine

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2=C1C=CC(=C2)S(=O)(=O)N3CCCC3)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations