Geometry & MOs

Info

ID:

57472

PubChem CID:

22396008

Reduced:

SN2O7C24H30 (1)

Stoich.:

AB2C7D24E30 (1)

Weight, g/mol:

614.125643

ΔHf, kcal/mol:

-254.65

Dipole, Da:

9.23

IP(EA), eV:

 -9.16(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(E)-3-[1-(3,5-dichlorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-1-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enoxy]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCOCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations