Geometry & MOs

Info

ID:

426130

PubChem CID:

135140933

Reduced:

N2C15H17 (2)

Stoich.:

A2B15C17 (2)

Weight, g/mol:

746.352478

ΔHf, kcal/mol:

86.86

Dipole, Da:

4.2

IP(EA), eV:

 -8.62(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(2S)-4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-2-[2-(trimethyl-lambda4-sulfanyl)ethoxycarbonylamino]butyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=C)C1=CC2=C(C=C1)N=C(N2C)CN3CCC(CC3)C4=CC=CC(=N4)CCC5=CC=CC=C5

DOS

IR

Vibrations