Geometry & MOs

Info

ID:	155832
PubChem CID:	56367729
Reduced:	SN5O5C22H29 (1)
Stoich.:	AB5C5D22E29 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	-153.52
Dipole, Da:	5.19
IP(EA), eV:	-9.07(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylsulfonyl)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations