Geometry & MOs

Info

ID:	153703
PubChem CID:	56313001
Reduced:	FOSN2C20H25 (1)
Stoich.:	ABCD2E20F25 (1)
Weight, g/mol:	456.151907
ΔH_f, kcal/mol:	-57.28
Dipole, Da:	4.21
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(benzenesulfonylmethyl)furan-2-yl]-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3F)C

DOS

IR

Vibrations