Geometry & MOs

Info

ID:

149368

PubChem CID:

53789040

Reduced:

S2O8N11C53H69 (1)

Stoich.:

A2B8C11D53E69 (1)

Weight, g/mol:

351.97844

ΔHf, kcal/mol:

-314.09

Dipole, Da:

9.11

IP(EA), eV:

 -8.81(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1-hydroxypropan-2-yliminomethyl)-3-oxo-3-(4,5,6-trichloropyridin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)N1)NC(=O)C(C2CC3=CC=CC=C3C2)N)C(=O)NC(C4CC5=CC=CC=C5C4)C(=O)N)C(C)C)CCCCN)CC6=CNC7=CC=CC=C76

DOS

IR

Vibrations