Geometry & MOs

Info

ID:

180015

PubChem CID:

76567044

Reduced:

NO4H25C26 (1)

Stoich.:

AB4C25D26 (1)

Weight, g/mol:

690.297288

ΔHf, kcal/mol:

-116.36

Dipole, Da:

9.08

IP(EA), eV:

 -9.32(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[4-(cyclopropylsulfonylcarbamoyl)-18-[5-fluoro-1-(methoxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]azanium

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)NC(=O)C3=C(C=CC(=C3)OC4=CC=CC=C4)CCC(=O)O

DOS

IR

Vibrations