Geometry & MOs

Info

ID:	153057
PubChem CID:	56312181
Reduced:	FN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	490.205005
ΔH_f, kcal/mol:	-82.01
Dipole, Da:	1.46
IP(EA), eV:	-8.52(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC2=CC=CC=C2F)CCOCCOC3=CC=CC=C3

DOS

IR

Vibrations