Geometry & MOs

Info

ID:	152657
PubChem CID:	56311684
Reduced:	FSN2O4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	352.068213
ΔH_f, kcal/mol:	-170.88
Dipole, Da:	6.34
IP(EA), eV:	-8.5(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chlorothiophen-2-yl)sulfonyl-4-(3-methoxypropyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CC1CN(CCN1CCCS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations