Geometry & MOs

Info

ID:

174370

PubChem CID:

75757709

Reduced:

N3O5C29H35 (1)

Stoich.:

A3B5C29D35 (1)

Weight, g/mol:

535.304621

ΔHf, kcal/mol:

-157.86

Dipole, Da:

2.22

IP(EA), eV:

 -8.28(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(dimethylamino)phenyl]-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=CC=C(C=C2)N(C)C)C(=O)NC3CCCCC3)C(=O)C4=C(C(=CC=C4)O)O

DOS

IR

Vibrations