Geometry & MOs

Info

ID:

326955

PubChem CID:

126688760

Reduced:

N3O4C26H31 (2)

Stoich.:

A3B4C26D31 (2)

Weight, g/mol:

1194.686824

ΔHf, kcal/mol:

-173.24

Dipole, Da:

5.94

IP(EA), eV:

 -8.31(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[[[3-[4-[18-[4-[2-[[6-(carboxymethyl)-3-ethyl-6-bicyclo[3.2.0]hept-3-enyl]methylcarbamoylamino]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-3-oxopropyl]carbamoylamino]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)CNC(=O)N2C=CN=C2)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC3=C(C(=O)C(CC3(C)C)OC(=O)CNC(=O)N4C=CN=C4)C)C)C

DOS

IR

Vibrations