Geometry & MOs

Info

ID:	358090
PubChem CID:	127295635
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-135.28
Dipole, Da:	5.81
IP(EA), eV:	-8.64(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-pyrrolidin-1-ylazepan-1-yl)sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations