Geometry & MOs

Info

ID:

187160

PubChem CID:

77536776

Reduced:

SF2O3N5C36H41 (1)

Stoich.:

AB2C3D5E36F41 (1)

Weight, g/mol:

586.261377

ΔHf, kcal/mol:

-154.08

Dipole, Da:

4.03

IP(EA), eV:

 -8.51(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-N-[3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-N-methylbenzene-1,3-dicarboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2CCCN2C(=O)C3=CC(=CC(=C3)C(=O)NC(CC4=CC=CC=C4)C(CN(C)C5=CN=CC(=C5)C(C)C)O)C(F)F

DOS

IR

Vibrations