Geometry & MOs

Info

ID:

188782

PubChem CID:

77764668

Reduced:

N2F3O6C20H21 (1)

Stoich.:

A2B3C6D20E21 (1)

Weight, g/mol:

608.284614

ΔHf, kcal/mol:

-372.95

Dipole, Da:

5.56

IP(EA), eV:

 -9.44(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[2-[2-[(2-amino-3-methylbutanoyl)-phenylmethoxycarbonylcarbamoyl]pyrrolidin-1-yl]-1-hydroxy-3-methylbutyl]-1,3-benzoxazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CCC(C(=O)O)(N)NC2=CC=CC=C2.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations