Geometry & MOs

Info

ID:

438628

PubChem CID:

135228372

Reduced:

N5O9C39H65 (1)

Stoich.:

A5B9C39D65 (1)

Weight, g/mol:

344.278741

ΔHf, kcal/mol:

-444.56

Dipole, Da:

3.88

IP(EA), eV:

 -8.99(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(4R)-1-[[amino(hydroxy)methyl]amino]-6-methyl-5-oxoheptan-4-yl]-3-methyl-2-(propan-2-ylamino)butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)NC(CC2=CC=CC=C2)(C(=O)O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC

DOS

IR

Vibrations