Geometry & MOs

Info

ID:	148880
PubChem CID:	53788550
Reduced:	NSO3C7H9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	307.11209
ΔH_f, kcal/mol:	-113.35
Dipole, Da:	5.35
IP(EA), eV:	-9.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(2-fluorophenyl)-4H-imidazo[1,2-a][1,4]benzodiazepin-8-yl]methanol

Drug info:

PubChemData

Smile

C1[C@H]2N(C1=O)C[C@H](S2)CC(=O)O

DOS

IR

Vibrations