Geometry & MOs

Info

ID:	152482
PubChem CID:	56311419
Reduced:	FSO2N4C19H23 (1)
Stoich.:	ABC2D4E19F23 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	-86.14
Dipole, Da:	2.09
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(3-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(C=CS2)C(=O)N)CC3=CC=CC=C3F

DOS

IR

Vibrations