Geometry & MOs

Info

ID:	369277
PubChem CID:	127332031
Reduced:	FO2N3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	251.064986
ΔH_f, kcal/mol:	-115.84
Dipole, Da:	6.16
IP(EA), eV:	-9.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxolan-3-ylsulfonyl)-1,4-thiazepane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N2CCCC(C2=O)N3CCC(=O)NCC3

DOS

IR

Vibrations