Geometry & MOs

Info

ID:

192942

PubChem CID:

78326416

Reduced:

SO2N4C37H42 (1)

Stoich.:

AB2C4D37E42 (1)

Weight, g/mol:

574.208194

ΔHf, kcal/mol:

-36.21

Dipole, Da:

3.33

IP(EA), eV:

 -9.07(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[1,3-benzodioxol-5-ylmethyl-[(6-chloro-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]amino]-2-oxoethyl]-prop-2-enylamino]-4-oxobutanoate

Drug info:

PubChemData

Smile

C=CCN1C(=O)C2=C(C3=CC=CC=C3CC24CCCCC4)N=C1SCC5NC6C(C(=O)N5)C7(CCCC7)CC8=CC=CC=C68

DOS

IR

Vibrations