Geometry & MOs

Info

ID:

315791

PubChem CID:

126628784

Reduced:

N4O7C40H48 (1)

Stoich.:

A4B7C40D48 (1)

Weight, g/mol:

398.278072

ΔHf, kcal/mol:

-212.58

Dipole, Da:

10.03

IP(EA), eV:

 -9.15(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,3-dimethyl-N-[3-[[2-methyl-4-(2-methyl-5-oxohexan-2-yl)oxybutan-2-yl]amino]-3-oxopropyl]-4-oxobutanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2CCC[C@H](N2)C(=O)O[C@@H](C3=CC4=C(C=CC(=C4)/C=C/[C@](C(=O)NC(C(=O)N1)C(C)C)(C)COC(=O)C5=C(C=CC=C5C)C)C=C3)C

DOS

IR

Vibrations