Geometry & MOs

Info

ID:	154762
PubChem CID:	56314282
Reduced:	FO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	386.126441
ΔH_f, kcal/mol:	-85.48
Dipole, Da:	9.77
IP(EA), eV:	-9.01(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1CCC(=O)N2CCCN(CC2)CC3=CC=CC=C3F)C)C#N

DOS

IR

Vibrations