Geometry & MOs

Info

ID:

46930

PubChem CID:

10528463

Reduced:

PN7O7C17H28 (1)

Stoich.:

AB7C7D17E28 (1)

Weight, g/mol:

473.314123

ΔHf, kcal/mol:

-311.64

Dipole, Da:

3.56

IP(EA), eV:

 -9.84(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2R)-4-[(1R,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-2-hydroxy-2-methylbutanoyl]amino]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(N[C@@H](CC(C)C)C(=O)NC)O)N=[N+]=[N-]

DOS

IR

Vibrations