Geometry & MOs

Info

ID:	153058
PubChem CID:	56312183
Reduced:	FSN4O4C24H31 (1)
Stoich.:	ABC4D4E24F31 (1)
Weight, g/mol:	433.1165
ΔH_f, kcal/mol:	-159.49
Dipole, Da:	9.82
IP(EA), eV:	-9.11(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-bromo-4-methylphenyl)-2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)CC4=CC=CC=C4F

DOS

IR

Vibrations