Geometry & MOs

Info

ID:

234383

PubChem CID:

92298302

Reduced:

SN5O6C26H29 (1)

Stoich.:

AB5C6D26E29 (1)

Weight, g/mol:

568.208863

ΔHf, kcal/mol:

-164.69

Dipole, Da:

2.69

IP(EA), eV:

 -8.66(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[(1S)-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)OC)N(C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C(=NS4)C(=O)N)N

DOS

IR

Vibrations