Geometry & MOs

Info

ID:

181012

PubChem CID:

76715523

Reduced:

N3O6C32H43 (1)

Stoich.:

A3B6C32D43 (1)

Weight, g/mol:

707.249907

ΔHf, kcal/mol:

-242.69

Dipole, Da:

3.67

IP(EA), eV:

 -9.47(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-18-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2,15-dioxo-14-(2-phenylethyl)-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC(=O)C)C(=O)NCCC(=O)NCC4=CC=CC=C4

DOS

IR

Vibrations