Geometry & MOs

Info

ID:

327608

PubChem CID:

126690505

Reduced:

N2O3C20H28 (2)

Stoich.:

A2B3C20D28 (2)

Weight, g/mol:

1343.418737

ΔHf, kcal/mol:

-236.63

Dipole, Da:

2.48

IP(EA), eV:

 -8.46(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[5-[3-[3-[[4-[2-[4-[carboxymethyl-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methyl]carbamoyl]anilino]-2-oxoethyl]-3-(trifluoromethyl)phenoxy]methyl]-4-methylphenyl]propyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-[4-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1CC(CCC1CC(=O)NC2CCC(C=C2)C(=O)N(CC3CCC(CC3)C4NC(ON4)C5=CC=C(CC5)C6=CC=C(C=C6)C)CC(=O)O)O

DOS

IR

Vibrations