Geometry & MOs

Info

ID:

439468

PubChem CID:

135229242

Reduced:

N4O6C35H58 (1)

Stoich.:

A4B6C35D58 (1)

Weight, g/mol:

618.435636

ΔHf, kcal/mol:

-299.97

Dipole, Da:

1.98

IP(EA), eV:

 -8.93(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,5R)-3-methoxy-N-[(3S)-2-methoxy-3-methyl-4-oxo-4-(2-phenylethylamino)butyl]-5-methyl-4-[methyl-[2-(3-methylbutanoylamino)acetyl]amino]-N-propylheptanamide

Drug info:

PubChemData

Smile

CCCN(CC([C@H](C)C(=O)N[C@@H](C)CC1=CC=CC=C1)OC)C(=O)C[C@@H]([C@@H](/C(=C/C)/C)N(C)C(=O)CNC(=O)CC(C)C)OC

DOS

IR

Vibrations