Geometry & MOs

Info

ID:	154866
PubChem CID:	56314409
Reduced:	FO2N3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	425.124312
ΔH_f, kcal/mol:	-58.47
Dipole, Da:	2.31
IP(EA), eV:	-8.9(-0.5)
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-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2=CN=CC=C2)C)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations