Geometry & MOs

Info

ID:

229869

PubChem CID:

87569410

Reduced:

S2N3O3C21H25 (1)

Stoich.:

A2B3C3D21E25 (1)

Weight, g/mol:

517.315186

ΔHf, kcal/mol:

-62.52

Dipole, Da:

7.46

IP(EA), eV:

 -9.19(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]amino]-4-(cyclopropylmethylamino)cyclobut-3-ene-1,2-dione

Drug info:

PubChemData

Smile

CC(C)CC1=CN(C(=C1)C(=O)NC2=NC=CS2)CCC3=CC=C(C=C3)S(=O)(=O)C

DOS

IR

Vibrations