Geometry & MOs

Info

ID:	422631
PubChem CID:	135118166
Reduced:	SN3O5C17H23 (1)
Stoich.:	AB3C5D17E23 (1)
Weight, g/mol:	351.134969
ΔH_f, kcal/mol:	-191.49
Dipole, Da:	2.65
IP(EA), eV:	-9.72(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-chloropyridine-3-carbonyl)-1,4-diazepan-1-yl]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)N)C(=O)O

DOS

IR

Vibrations