Geometry & MOs

Info

ID:	156348
PubChem CID:	56370224
Reduced:	SO2N3C25H33 (1)
Stoich.:	AB2C3D25E33 (1)
Weight, g/mol:	455.224263
ΔH_f, kcal/mol:	-58.09
Dipole, Da:	6.84
IP(EA), eV:	-8.59(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-oxo-3-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]propyl]-2-phenylethenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CCCN(CC2)CCCC3=CC=CC=C3

DOS

IR

Vibrations