Geometry & MOs

Info

ID:

161598

PubChem CID:

57392100

Reduced:

N4O7C31H39 (2)

Stoich.:

A4B7C31D39 (2)

Weight, g/mol:

482.235162

ΔHf, kcal/mol:

-541.67

Dipole, Da:

10.19

IP(EA), eV:

 -8.7(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-3-sulfonamide

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C/C=C\C[C@H](NC(=O)[C@@H]5C[C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)CCC7=CC=C(C=C7)O)CCCN)O)C(=O)OC

DOS

IR

Vibrations