Geometry & MOs

Info

ID:	139049
PubChem CID:	52464715
Reduced:	OSN5C25H33 (1)
Stoich.:	ABC5D25E33 (1)
Weight, g/mol:	373.183993
ΔH_f, kcal/mol:	24.33
Dipole, Da:	7.24
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-[(3,4-difluorobenzoyl)amino]benzimidazol-1-yl]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)S[C@@H](C)C(=O)NC[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations