Geometry & MOs

Info

ID:

302075

PubChem CID:

124349220

Reduced:

S3O7N9C27H37 (1)

Stoich.:

A3B7C9D27E37 (1)

Weight, g/mol:

628.362471

ΔHf, kcal/mol:

-176.6

Dipole, Da:

8.44

IP(EA), eV:

 -8.76(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-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

C[C@@H](OC(=O)C1=C(CS[C@@H]2N1C(=O)[C@@H]2NC(=O)CC3=CSC(=N3)N)CSC4=NN=NN4CCN(C)C)OC(=O)OC5CCCCC5

DOS

IR

Vibrations