Geometry & MOs

Info

ID:	43789
PubChem CID:	10321793
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	455.086115
ΔH_f, kcal/mol:	-194.84
Dipole, Da:	2.57
IP(EA), eV:	-9.28(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(benzenesulfonamido)ethylsulfanyl]-6,11-dihydrobenzo[c][1]benzoxepine-9-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCCN1C(=O)C2=CC=C(C=C2)C#N)C(=O)N3CCC(CC3)OCC(=O)OC(C)(C)C

DOS

IR

Vibrations