Geometry & MOs

Info

ID:

326953

PubChem CID:

126688757

Reduced:

ClNO3C24H34 (2)

Stoich.:

ABC3D24E34 (2)

Weight, g/mol:

1448.890275

ΔHf, kcal/mol:

-264.48

Dipole, Da:

3.87

IP(EA), eV:

 -8.23(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[[[6-[2-[4-[18-[4-[2-[6-[[[6-(carboxymethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]methylcarbamoylamino]methyl]-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetyl]oxy-2,6,6-trimethyl-3-oxocyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-2-oxocyclohex-3-en-1-yl]oxy-2-oxoethyl]-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]methylcarbamoylamino]methyl]-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(CC(C1=O)OC(=O)CCCN)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)OC(=O)CCCN)C)C)C.Cl.Cl

DOS

IR

Vibrations