Geometry & MOs

Info

ID:	193474
PubChem CID:	78398836
Reduced:	ON4C28H32 (1)
Stoich.:	AB4C28D32 (1)
Weight, g/mol:	387.086447
ΔH_f, kcal/mol:	60.95
Dipole, Da:	4.86
IP(EA), eV:	-8.04(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene)-1,1,1-trifluoro-3-(2-nitrophenyl)sulfanylpropan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C3C4C(=O)CC(C=C4N=C5C3=C(NN5C6=CC=CC=C6)C)(C)C

DOS

IR

Vibrations