Geometry & MOs

Info

ID:

167581

PubChem CID:

74846742

Reduced:

FN3O4C30H34 (1)

Stoich.:

AB3C4D30E34 (1)

Weight, g/mol:

511.268236

ΔHf, kcal/mol:

-151.37

Dipole, Da:

7.29

IP(EA), eV:

 -9.08(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[[2-[benzyl-[(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-prop-2-enylcarbamoyl]amino]acetate

Drug info:

PubChemData

Smile

CC1CCC2C(C1)C(=O)C(=CO2)CN(CC3=CC=CC=C3)C(=O)CN(CC=C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations