Geometry & MOs

Info

ID:	357188
PubChem CID:	127293692
Reduced:	SN2O2C14H20 (1)
Stoich.:	AB2C2D14E20 (1)
Weight, g/mol:	370.135114
ΔH_f, kcal/mol:	-63.6
Dipole, Da:	3.33
IP(EA), eV:	-9.24(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylsulfonyl)phenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)N2CCCC3=CC=CC=C3C2

DOS

IR

Vibrations