Geometry & MOs

Info

ID:	77410
PubChem CID:	48429115
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	393.098097
ΔH_f, kcal/mol:	-11.6
Dipole, Da:	5.48
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-fluorophenyl)sulfanyl-1-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3C(=O)N2)C4=NC=CS4

DOS

IR

Vibrations