Geometry & MOs

Info

ID:

178123

PubChem CID:

76281479

Reduced:

N4O15C59H86 (1)

Stoich.:

A4B15C59D86 (1)

Weight, g/mol:

367.146681

ΔHf, kcal/mol:

-610.97

Dipole, Da:

5.63

IP(EA), eV:

 -9.28(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-aminothiophen-3-yl)-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]2C[C@@H](/C(=C/C3C=CC([C@H](C[C@H](C([C@@H]([C@@H](/C(=C/[C@H](C(=O)C[C@H](OC(=O)[C@@H]4CCCN(C4)C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]5CC[C@H]([C@@H](C5)OC)O)C)/C)O)OC)O)C)C)N6N3C(=O)N(C6=O)C7=CC=CC=C7)/C)OC

DOS

IR

Vibrations