Geometry & MOs

Info

ID:	154869
PubChem CID:	56314412
Reduced:	FON2C23H27 (1)
Stoich.:	ABC2D23E27 (1)
Weight, g/mol:	479.18902
ΔH_f, kcal/mol:	-59.64
Dipole, Da:	3.52
IP(EA), eV:	-8.83(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-3,4-dimethoxybenzenesulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)CC(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations