Geometry & MOs

Info

ID:

180493

PubChem CID:

76642455

Reduced:

ClS2N5O6C35H40 (1)

Stoich.:

AB2C5D6E35F40 (1)

Weight, g/mol:

703.268727

ΔHf, kcal/mol:

-153.18

Dipole, Da:

5.64

IP(EA), eV:

 -8.63(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[4-(cyclopropylsulfonylcarbamoyl)-18-[(6-fluoro-1,3-benzoxazol-2-yl)oxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)N3)OC5=NC6=C(S5)C=C(C=C6)Cl)NC7=CC=CC=C7

DOS

IR

Vibrations