Geometry & MOs

Info

ID:

191814

PubChem CID:

78188843

Reduced:

SN5O6C27H31 (1)

Stoich.:

AB5C6D27E31 (1)

Weight, g/mol:

726.460788

ΔHf, kcal/mol:

-95.76

Dipole, Da:

2.69

IP(EA), eV:

 -9.48(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[4-[2-[(1-ethylcyclopentyl)-(2-hydroxyethyl)carbamoyl]phenyl]-2-hydroxybutyl]-5-methylbenzoyl]-(2-phenylpropan-2-yl)amino]ethyl 2,3-dimethylbutanoate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CN=CC=C2)O)S(=O)(=O)C3=CC4=NON=C4C=C3

DOS

IR

Vibrations