Geometry & MOs

Info

ID:

446828

PubChem CID:

135278041

Reduced:

SN9O10C53H85 (1)

Stoich.:

AB9C10D53E85 (1)

Weight, g/mol:

490.340673

ΔHf, kcal/mol:

-452.71

Dipole, Da:

3.6

IP(EA), eV:

 -8.65(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(1S)-1-hydroxy-1-phenylpropan-2-yl]-3-methoxy-3-[(2S)-1-[(4S,5S)-3-methoxy-4,5-dimethylheptanoyl]pyrrolidin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(CC)CC(=O)OS)N(C)C(=C)[C@H](C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC1=CC=C(C=C1)NC(=O)[C@H](CCCNC(=C)N)NC(=O)C(C(C)C)NC(=O)CCCCCN2C(=O)C=CC2=O

DOS

IR

Vibrations