Geometry & MOs

Info

ID:

146391

PubChem CID:

53680957

Reduced:

SN2O3C9H14 (1)

Stoich.:

AB2C3D9E14 (1)

Weight, g/mol:

1109.559579

ΔHf, kcal/mol:

-115.29

Dipole, Da:

6.13

IP(EA), eV:

-9.17(0.15)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]imino-3-(3,4-dichlorophenyl)butyl]-N,3,5-trimethylbenzamide;N-[(2E)-2-[(2E)-2-amino-2-hydroxyiminoethoxy]iminopropyl]-3-methoxy-N,4,5-trimethylbenzamide;N,N-dimethyl-2-[2-oxo-1-(1-propylpiperidin-4-yl)piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)O)NC(=O)CCC#N

DOS

IR

Vibrations