Geometry & MOs

Info

ID:

59775

PubChem CID:

24896637

Reduced:

N6O15C59H62 (1)

Stoich.:

A6B15C59D62 (1)

Weight, g/mol:

400.105705

ΔHf, kcal/mol:

-452.11

Dipole, Da:

11.2

IP(EA), eV:

 -8.7(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[bis(3-fluorophenyl)methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N

DOS

IR

Vibrations