Geometry & MOs

Info

ID:

443601

PubChem CID:

135259448

Reduced:

SN4O7C33H36 (1)

Stoich.:

AB4C7D33E36 (1)

Weight, g/mol:

595.235222

ΔHf, kcal/mol:

-208.94

Dipole, Da:

11.07

IP(EA), eV:

 -9.29(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[formyl-[2-[(5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)oxy]-2-phenylethyl]amino]-4-methyl-5-(1,3-oxazol-2-yl)thiophene-3-carbonyl]-methylamino]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)OC4CC5CC(CC5C4)CC#N)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations