Geometry & MOs

Info

ID:

181084

PubChem CID:

76715596

Reduced:

FSN3O8C40H48 (1)

Stoich.:

ABC3D8E40F48 (1)

Weight, g/mol:

697.303301

ΔHf, kcal/mol:

-320.18

Dipole, Da:

5.38

IP(EA), eV:

 -8.99(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-(cyclopropylsulfonylcarbamoyl)-18-[(4-methyl-1,3-benzoxazol-2-yl)oxy]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate

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)CC7=CC(=CC=C7)OC

DOS

IR

Vibrations