Geometry & MOs

Info

ID:

181065

PubChem CID:

76715577

Reduced:

FSN4O7C38H45 (1)

Stoich.:

ABC4D7E38F45 (1)

Weight, g/mol:

782.280792

ΔHf, kcal/mol:

-262.33

Dipole, Da:

3.16

IP(EA), eV:

 -8.75(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-N-cyclopropylsulfonyl-18-(6-methoxy-3-thiophen-2-ylquinoxalin-2-yl)oxy-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC(=O)N5CC6=C(C5)C(=CC=C6)F)NC7=CC=CC=C7

DOS

IR

Vibrations