Geometry & MOs

Info

ID:	154357
PubChem CID:	56313774
Reduced:	FSO2N4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	442.14749
ΔH_f, kcal/mol:	-28.8
Dipole, Da:	4.9
IP(EA), eV:	-8.89(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CSC2=C(C=CC=N2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations