Geometry & MOs

Info

ID:

224077

PubChem CID:

85337903

Reduced:

NO2C7H10 (4)

Stoich.:

AB2C7D10 (4)

Weight, g/mol:

562.149776

ΔHf, kcal/mol:

-243.1

Dipole, Da:

3.22

IP(EA), eV:

 -9.76(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-carbamimidoylphenyl)-N-[4-[2-(methylsulfamoyl)phenyl]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1CCC23CC(C(=O)C2CC1(C(CC(C(C3C)O)(C)C=C)OC(=O)NC(=O)C4=CC(=C(N=C4)N)[NH+](O)[O-])C)O

DOS

IR

Vibrations