Geometry & MOs

Info

ID:

215392

PubChem CID:

85084671

Reduced:

NO2C29H43 (1)

Stoich.:

AB2C29D43 (1)

Weight, g/mol:

876.372778

ΔHf, kcal/mol:

31.07

Dipole, Da:

4.13

IP(EA), eV:

 -8.94(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[4-[3-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]propyl]-2-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-naphthalen-2-ylpropanoyl]pyrrolidin-2-yl]-5-oxo-1,3-oxazol-4-yl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC12CCC(C3C1(C4CCC=C4CCC2CN3)CCCOCC5=CC=CC=C5)C(C)(C)O

DOS

IR

Vibrations