Geometry & MOs

Info

ID:	152376
PubChem CID:	56311291
Reduced:	FOCl3N3C20H21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	448.19444
ΔH_f, kcal/mol:	-63.31
Dipole, Da:	4.21
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)CC3=CC=CC=C3F

DOS

IR

Vibrations