Geometry & MOs

Info

ID:

214706

PubChem CID:

85083441

Reduced:

S2N7O10C19H31 (1)

Stoich.:

A2B7C10D19E31 (1)

Weight, g/mol:

581.346486

ΔHf, kcal/mol:

-378.31

Dipole, Da:

9.18

IP(EA), eV:

 -9.47(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-benzyl-2,2-dimethyl-5-[3-methyl-2-[2-(phenylmethoxycarbonylamino)ethylcarbamoyl]butyl]-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C(C(=O)NCCCCC(C(=O)O)N)NC(=O)C(=NOC(C)(C)C(=O)O)C1=CSC(=N1)N)NS(=O)(=O)O

DOS

IR

Vibrations