Geometry & MOs

Info

ID:	397382
PubChem CID:	135030135
Reduced:	PSiN3O13C45H86 (1)
Stoich.:	ABC3D13E45F86 (1)
Weight, g/mol:	401.16608
ΔH_f, kcal/mol:	-811.59
Dipole, Da:	4.92
IP(EA), eV:	-9.26(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[8-(4-methoxyphenyl)-8-oxooct-6-enyl]-4-methylbenzenesulfonamide

Drug info:

Smile

CCOP(=O)(CC(=O)N(C)CC(=O)N[C@@H]([C@H]1C(=O)OC(O1)(C)C)C(=O)O[C@@H]([C@H](C)CCCCCCCCCCCC(C)C)[C@H](C)C(=O)N[C@@H](CO)CO[Si](C)(C)C(C)(C)C)OCC

DOS

IR

Vibrations