Geometry & MOs

Info

ID:	154560
PubChem CID:	56314023
Reduced:	FO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	420.16314
ΔH_f, kcal/mol:	-130.24
Dipole, Da:	5.06
IP(EA), eV:	-9.12(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-N-methylpyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations