Geometry & MOs

Info

ID:

45056

PubChem CID:

10507596

Reduced:

N3O7C33H37 (1)

Stoich.:

A3B7C33D37 (1)

Weight, g/mol:

588.294785

ΔHf, kcal/mol:

-229.25

Dipole, Da:

9.74

IP(EA), eV:

 -9.76(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-[[2-[2-[2-(N-methylanilino)-2-oxoethoxy]-N-(3-methylpentyl)anilino]-2-oxoethyl]carbamoylamino]phenyl]acetate

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H]3CCCN3C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C(=O)O)C=C5

DOS

IR

Vibrations