Geometry & MOs

Info

ID:	154765
PubChem CID:	56314286
Reduced:	BrOF2N2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	396.170534
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	4.56
IP(EA), eV:	-9.08(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dithiolan-3-yl)-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=C(C=CC(=C2)F)Br)CC3=CC=CC=C3F

DOS

IR

Vibrations