Geometry & MOs

Info

ID:	154871
PubChem CID:	56314414
Reduced:	OF2N2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	433.183541
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	4.6
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)CCC2=CC=CC=C2F)CC3=CC=CC=C3F

DOS

IR

Vibrations