Geometry & MOs

Info

ID:	152164
PubChem CID:	56311033
Reduced:	FSO3N4C21H27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	395.237291
ΔH_f, kcal/mol:	-119.2
Dipole, Da:	7.34
IP(EA), eV:	-8.67(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations