Geometry & MOs

Info

ID:	153609
PubChem CID:	56312876
Reduced:	FSO2N3C22H24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	389.157326
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	4.55
IP(EA), eV:	-8.9(-0.92)
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]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)CC4=CC=CC=C4F

DOS

IR

Vibrations