Geometry & MOs

Info

ID:

230151

PubChem CID:

87570306

Reduced:

SCl2N5O5C26H33 (1)

Stoich.:

AB2C5D5E26F33 (1)

Weight, g/mol:

596.150121

ΔHf, kcal/mol:

-121.04

Dipole, Da:

2.52

IP(EA), eV:

 -8.93(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

2,6-dichloro-4-methyl-N-oxido-N-[(3R)-3-[4-[[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)[NH+](CC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)CN4CCOC4=O)[O-])Cl)Cl

DOS

IR

Vibrations