Geometry & MOs

Info

ID:	154346
PubChem CID:	56313762
Reduced:	ClFO2N3C23H25 (1)
Stoich.:	ABC2D3E23F25 (1)
Weight, g/mol:	400.142091
ΔH_f, kcal/mol:	-92.03
Dipole, Da:	7.35
IP(EA), eV:	-8.67(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-3-methyl-1-benzothiophen-2-yl)-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2CCN(C2=O)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4F

DOS

IR

Vibrations