Geometry & MOs

Info

ID:	219364
PubChem CID:	85147454
Reduced:	SF3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	412.103729
ΔH_f, kcal/mol:	-241.65
Dipole, Da:	4.18
IP(EA), eV:	-8.35(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[(3,4,5,6-tetrahydroxyoxan-2-yl)methyl]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione

Drug info:

PubChemData

Smile

CC(CCCSC1=CC=CC=C1)OC(=O)C(C2=CC=CC=C2)(C(F)(F)F)OC

DOS

IR

Vibrations