Geometry & MOs

Info

ID:

417316

PubChem CID:

135092035

Reduced:

SN6O7C40H50 (1)

Stoich.:

AB6C7D40E50 (1)

Weight, g/mol:

359.220892

ΔHf, kcal/mol:

-274.61

Dipole, Da:

8.64

IP(EA), eV:

 -9.44(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)C4=CC(=C(S4)C5=CC=CC=C5)C)O

DOS

IR

Vibrations