Geometry & MOs

Info

ID:

190342

PubChem CID:

77990106

Reduced:

FSN6O6C33H39 (1)

Stoich.:

ABC6D6E33F39 (1)

Weight, g/mol:

620.241704

ΔHf, kcal/mol:

-207.06

Dipole, Da:

6.26

IP(EA), eV:

 -9.44(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[3-hydroxy-4-[4-(hydroxymethyl)triazol-1-yl]-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-phenylethyl)benzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)C(CN4C=C(N=N4)C(C)(C)O)O

DOS

IR

Vibrations