Geometry & MOs

Info

ID:

234368

PubChem CID:

92298277

Reduced:

SN5O5C27H33 (1)

Stoich.:

AB5C5D27E33 (1)

Weight, g/mol:

568.208863

ΔHf, kcal/mol:

-149.07

Dipole, Da:

4.93

IP(EA), eV:

 -8.76(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[(1R)-1-(2-chlorophenyl)-2-(2-methylbutan-2-ylamino)-2-oxoethyl]-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-4-oxobutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)[C@@H](C1=CC=C(C=C1)OCC)N(C2=CC(=CC=C2)OC)C(=O)C3=C(C(=NS3)C(=O)N)N

DOS

IR

Vibrations