Geometry & MOs

Info

ID:

176721

PubChem CID:

76088376

Reduced:

N5O8C29H49 (1)

Stoich.:

A5B8C29D49 (1)

Weight, g/mol:

2691.965228

ΔHf, kcal/mol:

-305.62

Dipole, Da:

3.14

IP(EA), eV:

 -8.99(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-benzyl-4-ethoxy-1-ethylimidazolidin-2-one;N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-2-(3-chloro-1,2,4-triazol-1-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxopentanamide;N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-2-[5-methyl-2-(4-methylphenoxy)sulfinylimino-1,3,4-thiadiazol-3-yl]-3-oxopentanamide;N-[2-chloro-5-[4-(2,4-dimethylphenoxy)butanoylamino]phenyl]-4,4-dimethyl-2-(5-methylsulfanyl-1,2,4-triazol-1-yl)-3-oxopentanamide

Drug info:

PubChemData

Smile

CCC(C(=O)N(C)OC)NC(=O)OC(C)(C)C.CCC(C(=O)N(C)OC)NC(=O)OC(C)(C)C.C1=CC=C(C=C1)C#N

DOS

IR

Vibrations