Geometry & MOs

Info

ID:

302076

PubChem CID:

124349222

Reduced:

N4O5C37H48 (1)

Stoich.:

A4B5C37D48 (1)

Weight, g/mol:

628.362471

ΔHf, kcal/mol:

-194.42

Dipole, Da:

8.31

IP(EA), eV:

 -9.14(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,4R,5R)-5-[[2-(2,6-dimethylphenoxy)acetyl]amino]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)N[C@H](CC2=CC=CC=C2)[C@@H](C[C@H](CC3=CC=CC=C3)NC(=O)[C@@H](C(C)C)N4CCCNC4=O)O

DOS

IR

Vibrations