Geometry & MOs

Info

ID:

176622

PubChem CID:

76075210

Reduced:

SN4O16C67H120 (1)

Stoich.:

AB4C16D67E120 (1)

Weight, g/mol:

393.132471

ΔHf, kcal/mol:

-940.72

Dipole, Da:

7.05

IP(EA), eV:

 -9.15(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(4-cyanophenyl)phenoxy]-3-(2,5-dihydroxypyrrol-1-yl)propan-2-yl]-N-hydroxyformamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(CSCCC(=O)NC(CCC(=O)O)(C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations