Geometry & MOs

Info

ID:	153162
PubChem CID:	56312310
Reduced:	FO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	446.17879
ΔH_f, kcal/mol:	-52.52
Dipole, Da:	4.44
IP(EA), eV:	-8.77(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)CC(COC2=CC=C(C=C2)C#N)O)CC3=CC=CC=C3F

DOS

IR

Vibrations