Geometry & MOs

Info

ID:	193543
PubChem CID:	78405214
Reduced:	BrS2N3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	398.195405
ΔH_f, kcal/mol:	55.53
Dipole, Da:	6.73
IP(EA), eV:	-8.77(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene)-4-[1-(2,4-dimethoxyphenyl)ethylideneamino]oxy-3-oxobutanenitrile

Drug info:

PubChemData

Smile

C1CCN=C2C(C1)C(NC(=S)N2)C3=CC=C(S3)Br

DOS

IR

Vibrations