Geometry & MOs

Info

ID:

181150

PubChem CID:

76715662

Reduced:

SN2O5C35H40 (1)

Stoich.:

AB2C5D35E40 (1)

Weight, g/mol:

697.303301

ΔHf, kcal/mol:

-140.44

Dipole, Da:

6.19

IP(EA), eV:

 -9.02(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[4-(cyclopropylsulfonylcarbamoyl)-18-[(5-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=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)C)C(=O)O

DOS

IR

Vibrations