Geometry & MOs

Info

ID:	154766
PubChem CID:	56314288
Reduced:	FON2S2C20H29 (1)
Stoich.:	ABC2D2E20F29 (1)
Weight, g/mol:	394.21689
ΔH_f, kcal/mol:	-89.93
Dipole, Da:	4.54
IP(EA), eV:	-8.2(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethylbenzimidazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCCCC2CCSS2)CC3=CC=CC=C3F

DOS

IR

Vibrations