Geometry & MOs

Info

ID:

214998

PubChem CID:

85083974

Reduced:

SO3N7C36H53 (1)

Stoich.:

AB3C7D36E53 (1)

Weight, g/mol:

590.157753

ΔHf, kcal/mol:

-119.01

Dipole, Da:

5.25

IP(EA), eV:

 -8.52(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(3-carbamimidoylphenyl)prop-2-enyl-[3-chloro-4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]sulfamoyl] acetate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)CC(C(=O)N2CCN(CC2)C3CCN(CC3)C)NC(=O)N4CCC(CC4)N5CCC6=CSC=C6NC5=O)CC

DOS

IR

Vibrations