Geometry & MOs

Info

ID:

170289

PubChem CID:

75214671

Reduced:

N3O8C30H51 (1)

Stoich.:

A3B8C30D51 (1)

Weight, g/mol:

615.351966

ΔHf, kcal/mol:

-375.24

Dipole, Da:

1.87

IP(EA), eV:

 -10.17(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-hydroxy-3-[5-[5-[[(3-hydroxy-2,2-dimethyl-7-phenylheptanoyl)amino]methyl]-1,2-oxazol-3-yl]pentyl]-2-(hydroxymethyl)-4,4-dimethyl-5-oxopyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC(C(C)(C)C(=O)NCC1=CC(=NO1)CCCCCC2(C(C(=O)NC2(CO)C(=O)OC)(C)C)O)O

DOS

IR

Vibrations