Geometry & MOs

Info

ID:

164213

PubChem CID:

74382363

Reduced:

O13N17C58H81 (1)

Stoich.:

A13B17C58D81 (1)

Weight, g/mol:

406.189257

ΔHf, kcal/mol:

-506.94

Dipole, Da:

5.53

IP(EA), eV:

 -8.47(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-ethyl-7-methoxy-2-oxo-N-(4-piperidin-2-ylphenyl)chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCNC(=NC)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)NNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C4CC(CN4C(=O)C(CC5=CC=C(C=C5)O)NC(=O)C)N

DOS

IR

Vibrations