Geometry & MOs

Info

ID:

326648

PubChem CID:

126687943

Reduced:

N10O11C51H76 (1)

Stoich.:

A10B11C51D76 (1)

Weight, g/mol:

333.189986

ΔHf, kcal/mol:

-476.78

Dipole, Da:

6.62

IP(EA), eV:

 -9.07(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2R)-2-[[(2R)-3-butoxy-2-(methylamino)propanoyl]amino]propanoyl]amino]propaneperoxoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(C)[C@H](CO)C(=O)N[C@@H](C(=O)NCC(=O)N(C)[C@H]1C2=CC(=C(C=C2)O)C3=C(C=CC(=C3)C[C@H](NC(=O)[C@@H](NC1=O)C)C(=O)N[C@@H](CC4=CN=CN4)CO)O)N

DOS

IR

Vibrations