Geometry & MOs

Info

ID:	401929
PubChem CID:	135053400
Reduced:	NH19C21 (1)
Stoich.:	AB19C21 (1)
Weight, g/mol:	397.966161
ΔH_f, kcal/mol:	74.95
Dipole, Da:	3.24
IP(EA), eV:	-9.22(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trichloroethyl (9bR)-2-oxo-3a,4,5,9b-tetrahydro-1H-benzo[e]benzimidazole-3-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=N)C2=C(C=CC=C2C3=CC=CC=C3)C

DOS

IR

Vibrations