Geometry & MOs

Info

ID:

44983

PubChem CID:

10506997

Reduced:

N6O7C27H36 (1)

Stoich.:

A6B7C27D36 (1)

Weight, g/mol:

556.297094

ΔHf, kcal/mol:

-244.51

Dipole, Da:

3.15

IP(EA), eV:

 -9.65(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations